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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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1 – 15 of 1,618 results
1

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

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
2

Trifluoroacetic acid-d, 99.5%(Isotopic)

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
Synonym trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
3

Trifluoroacetic acid-d, for NMR, 99 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
4

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]

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
5

Formic acid-d2, for NMR, 99+ atom % D, 95% solution in D2O

CAS: 920-42-3 Molecular Formula: CH2O2 Molecular Weight (g/mol): 48.037 MDL Number: MFCD00037363 InChI Key: BDAGIHXWWSANSR-PFUFQJKNSA-N Synonym: formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d PubChem CID: 123092 IUPAC Name: deuterio deuterioformate SMILES: C(=O)O

PubChem CID 123092
CAS 920-42-3
Molecular Weight (g/mol) 48.037
MDL Number MFCD00037363
SMILES C(=O)O
Synonym formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d
IUPAC Name deuterio deuterioformate
InChI Key BDAGIHXWWSANSR-PFUFQJKNSA-N
Molecular Formula CH2O2
6

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

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
7

Acetic-d3 acid-d, for NMR, 99.5 atom % D

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 IUPAC Name: deuterio 2,2,2-trideuterioacetate SMILES: [2H]OC(=O)C([2H])([2H])[2H]

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
IUPAC Name deuterio 2,2,2-trideuterioacetate
InChI Key QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula C2H4O2
8

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

CAS: 758-12-3 Molecular Formula: C2H3O2 Molecular Weight (g/mol): 59.05 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-M IUPAC Name: acetate SMILES: CC([O-])=O

CAS 758-12-3
Molecular Weight (g/mol) 59.05
SMILES CC([O-])=O
IUPAC Name acetate
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-M
Molecular Formula C2H3O2
9

Sulfuric acid-d2, for NMR, 98 wt.% in D2O, 99.5+ atom % D

CAS: 13813-19-9 Molecular Formula: H2O4S Molecular Weight (g/mol): 100.08 MDL Number: MFCD00003542 InChI Key: QAOWNCQODCNURD-ZSJDYOACSA-N Synonym: sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic PubChem CID: 160992 IUPAC Name: dideuterio sulfate SMILES: [2H]OS(=O)(=O)O[2H]

PubChem CID 160992
CAS 13813-19-9
Molecular Weight (g/mol) 100.08
MDL Number MFCD00003542
SMILES [2H]OS(=O)(=O)O[2H]
Synonym sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic
IUPAC Name dideuterio sulfate
InChI Key QAOWNCQODCNURD-ZSJDYOACSA-N
Molecular Formula H2O4S
10

Deuterosulfuric acid, 96% min in D{2}O, 99.5% (Isotopic)

CAS: 13813-19-9 Molecular Formula: H2O4S Molecular Weight (g/mol): 100.08 MDL Number: MFCD00003542 InChI Key: QAOWNCQODCNURD-ZSJDYOACSA-N Synonym: sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic PubChem CID: 160992 IUPAC Name: dideuterio sulfate SMILES: [2H]OS(=O)(=O)O[2H]

PubChem CID 160992
CAS 13813-19-9
Molecular Weight (g/mol) 100.08
MDL Number MFCD00003542
SMILES [2H]OS(=O)(=O)O[2H]
Synonym sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic
IUPAC Name dideuterio sulfate
InChI Key QAOWNCQODCNURD-ZSJDYOACSA-N
Molecular Formula H2O4S
11

Thermo Scientific Chemicals Trifluoroacetic acid-d, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.03 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N IUPAC Name: trifluoroethan(²H)oic acid SMILES: [2H]OC(=O)C(F)(F)F

CAS 599-00-8
Molecular Weight (g/mol) 115.03
SMILES [2H]OC(=O)C(F)(F)F
IUPAC Name trifluoroethan(²H)oic acid
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
12

Trifluoroacetic acid-d, for NMR, packaged in 1 ml ampoules, 99.5 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
Synonym trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
13

Acetic-d3 acid-d, for NMR, 99.5 atom % D, packaged in 0.75 ml ampoules

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N IUPAC Name: (²H₃)ethan(²H)oic acid SMILES: [2H]OC(=O)C([2H])([2H])[2H]

CAS 1186-52-3
Molecular Weight (g/mol) 64.08
MDL Number MFCD00051051
SMILES [2H]OC(=O)C([2H])([2H])[2H]
IUPAC Name (²H₃)ethan(²H)oic acid
InChI Key QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula C2H4O2
14

Trifluoroacetic acid-D1, deuteration degree min. 99.5% for NMR spectroscopy MagniSolv™, MilliporeSigma™

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
SMILES C(=O)(C(F)(F)F)O
Synonym trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
15

Medchemexpress LLC Racemic jasmonic acid-d5 | 2750534-78-0 | 99.0% | 1 MG
SDP

Racemic jasmonic acid-d5 is the deuterium-labeled (d5) racemate of jasmonic acid used as a tracer and internal standard for quantitative analysis by NMR, GC-MS, and LC-MS. It is typically supplied as a small solution-based pack and should be stored frozen for stability.

  • Deuterium-labeled internal standard for quantitative assays.
  • Compatible with NMR, GC-MS, and LC-MS workflows.
  • Formula C12H13D5O3; molecular weight 215.30.
  • Supplied as a solution in ethanol; store at -20 °C for up to 2 years.
  • Analytical-grade purity reported on product page (conflicting values: 97.81% and ≥99.0%).

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