Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.

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Acetic acid-d{4}, 99.5% (Isotopic)

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 SMILES: [2H]OC(=O)C([2H])([2H])[2H]

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Specifications

PubChem CID	2723903
CAS	1186-52-3
Molecular Weight (g/mol)	64.08
MDL Number	MFCD00051051
SMILES	[2H]OC(=O)C([2H])([2H])[2H]
Synonym	acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d
InChI Key	QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula	C2H4O2

Acetic acid-d, for NMR, 98 atom % D

CAS: 758-12-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 61.058 MDL Number: MFCD00051050 InChI Key: QTBSBXVTEAMEQO-DYCDLGHISA-N Synonym: acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood PubChem CID: 2723902 IUPAC Name: deuterio acetate SMILES: CC(=O)O

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Specifications

PubChem CID	2723902
CAS	758-12-3
Molecular Weight (g/mol)	61.058
MDL Number	MFCD00051050
SMILES	CC(=O)O
Synonym	acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood
IUPAC Name	deuterio acetate
InChI Key	QTBSBXVTEAMEQO-DYCDLGHISA-N
Molecular Formula	C2H4O2

Acetic acid-d, for NMR, 99.5 atom % D

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Butoxy-d9-acetic Acid, CDN

Discover 4000+ high-quality deuterated compounds, shipping directly from stock for speed. We offer many unique API’s, including active pharmaceutical ingredients, nitrosoamines, amino acids, steroids, gases, pesticides, and fatty acids.

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Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	669720-55-2
Molecular Weight (g/mol)	141.2131
InChI Formula	InChI=1 S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3,2D2,3D2,4D2
Chemical Name or Material	2-Butoxyacetic Acid-D9 (butoxy-D9)
SMILES	[2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])OCC(=O)O
Synonym	Acetic acid, 2-(butoxy-1,1,2,2,3,3,4,4,4-d9)- (ACI),2-(Butoxy-1,1,2,2,3,3,4,4,4-d9)acetic acid (ACI),Acetic acid, butoxy-d9- (9 CI),Butoxy-d9-acetic Acid,2-Butoxyacetic Acid-D9 (butoxy-D9)
Recommended Storage	Room Temperature
IUPAC Name	2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)acetic acid
Molecular Formula	C6 D9 H3 O3
Formula Weight	141.1351 g/mol

Octopamine-13C2,15N Acetic Acid, TRC

Molecular Formula: 13C2 C6 H11 15N O2 . C2 H4 O2 Molecular Weight (g/mol): 216.209 Synonym: α-(Aminomethyl)-4-hydroxybenzenemethanol-13C2,15N Acetic Acid,(+/-)-Octopamine-13C2,15N Acetic Acid,(+/-)-p-Octopamaine-13C2,15N Acetic Acid,DL-Octopamine-13C2,15N Acetic Acid,Epirenor-13C2,15N Acetic Acid,NSC 108685-13C2,15N Acetic Acid,Norfen-13C2,15N Acetic Acid,Octopamine-13C2,15N Acetic Acid,dl-Octopamine-13C2,15N Acetic Acid IUPAC Name: acetic acid;4-(2-(^{15}N)azanyl-1-hydroxy-(1,2-^{13}C_{2})ethyl)phenol SMILES: CC(=O)O.[15NH2][13CH2][13CH](O)c1ccc(O)cc1

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Specifications

Molecular Weight (g/mol)	216.209
SMILES	CC(=O)O.[15NH2][13CH2][13CH](O)c1ccc(O)cc1
Synonym	α-(Aminomethyl)-4-hydroxybenzenemethanol-13C2,15N Acetic Acid,(+/-)-Octopamine-13C2,15N Acetic Acid,(+/-)-p-Octopamaine-13C2,15N Acetic Acid,DL-Octopamine-13C2,15N Acetic Acid,Epirenor-13C2,15N Acetic Acid,NSC 108685-13C2,15N Acetic Acid,Norfen-13C2,15N Acetic Acid,Octopamine-13C2,15N Acetic Acid,dl-Octopamine-13C2,15N Acetic Acid
IUPAC Name	acetic acid;4-(2-(^{15}N)azanyl-1-hydroxy-(1,2-^{13}C_{2})ethyl)phenol
Molecular Formula	13C2 C6 H11 15N O2 . C2 H4 O2

Acetic Acid-2-13C, TRC

CAS: 1563-80-0 Molecular Formula: C13CH4O2 Molecular Weight (g/mol): 61.04 Synonym: [2-13C]Acetic Acid; IUPAC Name: acetic acid SMILES: [13CH3]C(=O)O

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Specifications

CAS	1563-80-0
Molecular Weight (g/mol)	61.04
SMILES	[13CH3]C(=O)O
Synonym	[2-13C]Acetic Acid;
IUPAC Name	acetic acid
Molecular Formula	C13CH4O2

Acetic acid-1-13C, TRC

CAS: 1563-79-7 Molecular Formula: C13CH4O2 Molecular Weight (g/mol): 61.04 Synonym: Acetic-1-13C acid (6CI,7CI,8CI,9CI),Acetic acid-1-13C,Acetic acid 1-13C,[1-13C]Acetic acid IUPAC Name: acetic acid SMILES: C[13C](=O)O

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Specifications

CAS	1563-79-7
Molecular Weight (g/mol)	61.04
SMILES	C[13C](=O)O
Synonym	Acetic-1-13C acid (6CI,7CI,8CI,9CI),Acetic acid-1-13C,Acetic acid 1-13C,[1-13C]Acetic acid
IUPAC Name	acetic acid
Molecular Formula	C13CH4O2

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	154492-74-7
Molecular Weight (g/mol)	157.18
InChI Formula	InChI=1 S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5 H,6H2,(H,9,10)/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	Phenoxy-d5-acetic Acid
SMILES	[2 H]c1c([2 H])c([2 H])c(OCC(=O)O)c([2 H])c1[2 H]
Recommended Storage	Room Temperature
IUPAC Name	2-(2,3,4,5,6-pentadeuteriophenoxy)acetic acid
Molecular Formula	C8 2H5 H3 O3
Formula Weight	157.0787 g/mol

Trimethyl-d9-acetic Acid, CDN

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Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	42983-07-3
Molecular Weight (g/mol)	111.19
InChI Formula	InChI=1 S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)/i1D3,2D3,3D3
Chemical Name or Material	Pivalic acid-d9
SMILES	[2 H]C([2 H])([2 H])C(C(=O)O)(C([2 H])([2 H])[2 H])C([2 H])([2 H])[2 H]
Synonym	2,2-Di(methyl-d3)propanoic-3,3,3-d3 Acid,2,2-Dimethylpropanoic Acid-d9,2,2,2-Trimethylacetic Acid-d9,2,2-Dimethylpropanoic Acid-d9,2,2-Dimethylpropionic Acid-d9,NSC 65449-d9,Neopentanoic Acid-d9,Neovaleric Acid-d9,Trimethylacetic Acid-d9,Trimethylmethanecarboxylic Acid-d9,Versatic 5 Acid-d9,tert-Pentanoic Acid-d9,alpha,alpha-Dimethylpropionic Acid-d9,Trimethyl-d9-acetic Acid
Recommended Storage	Room Temperature
IUPAC Name	3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanoic acid
Molecular Formula	C5 D9 H O2
Formula Weight	111.1246 g/mol

2-Methoxy-d3-acetic Acid, CDN

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Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	345910-00-1
Molecular Weight (g/mol)	93.1
InChI Formula	InChI=1 S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
Chemical Name or Material	2-Methoxyacetic acid methoxy-d3
SMILES	[2 H]C([2 H])([2 H])OCC(=O)O
Recommended Storage	Room Temperature
IUPAC Name	2-(trideuteriomethoxy)acetic acid
Molecular Formula	C3 2H3 H3 O3
Formula Weight	93.0505 g/mol

Paromomycin Deuterated Acetic Acid Salt, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Molecular Weight (g/mol)	615.63
InChI Formula	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Chemical Name or Material	Paromomycin Deuterated Acetic Acid Salt
SMILES	O[C@@H]1[C@H](O[C@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@H]([C@@H](O)[C@H](N)C[C@@H]3N)[C@@H]3O[C@@H]4[C@H](N)[C@@H](O)[C@H](O)[C@@H](CO)O4
Synonym	O-2,6-Diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-D-Streptamine Deuterated Acetic Acid Salt,O-2-Amino-2-deoxy-α-D-glucopyranosyl-(1→4)-O-[O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-β-D-ribofuranosyl-(1→5)]-2-deoxy-D-streptamine Deuterated Acetic Acid Salt,1600 Antibiotic Deuterated Acetic Acid Salt,Aminosidin Deuterated Acetic Acid Salt,Aminosidine Deuterated Acetic Acid Salt,Aminoxidin Deuterated Acetic Acid Salt,FI 5853 Deuterated Acetic Acid Salt,Farmiglucin Deuterated Acetic Acid Salt,Farminosidin Deuterated Acetic Acid Salt,Gabbroral Deuterated Acetic Acid Salt,Humagel Deuterated Acetic Acid Salt,Humatin Deuterated Acetic Acid Salt,Humycin Deuterated Acetic Acid Salt,Paramicina Deuterated Acetic Acid Salt,Pargonyl Deuterated Acetic Acid Salt,Paricina Deuterated Acetic Acid Salt,Sinosid Deuterated Acetic Acid Salt
Recommended Storage	-20°C
Molecular Formula	C23H45N5O14•5(CH3COOH) for undeuterated

(2,4-Dichlorophenoxy-d3)acetic Acid, CDN

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Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	202480-67-9
Molecular Weight (g/mol)	224.06
InChI Formula	InChI=1 S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3 H,4H2,(H,11,12)/i1D,2 D,3 D
Chemical Name or Material	2,4-D D3
SMILES	[2 H]c1c([2 H])c(OCC(=O)O)c(Cl)c([2 H])c1Cl
Synonym	Acetic acid, (4,6-dichlorophenoxy-2,3,5-d3)- (9 CI),2,4-D D3,(2,4-Dichloro-3,5,6-trideuteriophenoxy)acetic Acid
Recommended Storage	Room Temperature
IUPAC Name	2-(2,4-dichloro-3,5,6-trideuteriophenoxy)acetic acid
Molecular Formula	C8 2H3 H3 Cl2 O3
Formula Weight	222.9882 g/mol

Oxindole-3-acetic Acid-d4, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Molecular Weight (g/mol)	195.208
InChI Formula	InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)/i1D,2D,3D,4D
Chemical Name or Material	Oxindole-3-acetic Acid-d4
SMILES	[2H]c1c([2H])c([2H])c2C(CC(=O)O)C(=O)Nc2c1[2H]
Synonym	2-Oxo-3-Indolineacetic-d4 Acid,(±)-2,3-Dihydro-2-oxoindole-3-acetic-d4 Acid,(±)-2-Oxindoline-3-acetic-d4 Acid,(±)-2-Oxo-3-indolineacetic-d4 Acid,2-(2-Oxoindolin-3-yl)acetic-d4 Acid
Recommended Storage	-20°C
IUPAC Name	2-(4,5,6,7-tetradeuterio-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Molecular Formula	C10 D4 H5 N O3
Formula Weight	195.083

(2,4,6-Trichlorophenoxy)acetic Acid-13C6, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Molecular Weight (g/mol)	261.44
InChI Formula	InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)/i1+1,2+1,4+1,5+1,6+1,8+1
Chemical Name or Material	(2,4,6-Trichlorophenoxy)acetic Acid-13C6
SMILES	O=C(O)CO[13C]1=[13C](Cl)[13CH]=[13C](Cl)[13CH]=[13C]1Cl
Synonym	2-(2,4,6-Trichlorophenoxy)acetic Acid-13C6,2,4,6-T-13C6,NSC 61993-13C6
Recommended Storage	+4°C
Molecular Formula	C213C6H5Cl3O3

Acetic Acid-d4 (Reagent grade), CDN

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Specifications

Percent Purity	99 atom % D, min 99% Chemical Purity
CAS	1186-52-3
Molecular Weight (g/mol)	64.08
InChI Formula	InChI=1 S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
Chemical Name or Material	Acetic acid-D4
SMILES	[2 H]OC(=O)C([2 H])([2 H])[2 H]
Recommended Storage	Room Temperature
IUPAC Name	deuterio 2,2,2-trideuterioacetate
Molecular Formula	C2 2H4 O2
Formula Weight	64.0462 g/mol

Isotopically Labeled Compounds

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