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D-3-mercaptovaline, methyl ester, hydrochloride
SpectraBase Compound ID 8N8rAXAGPRE
InChI InChI=1S/C6H13NO2S.ClH/c1-6(2,10)4(7)5(8)9-3;/h4,10H,7H2,1-3H3;1H
InChIKey ITHGGMSDPOKFOA-UHFFFAOYSA-N
Mol Weight 199.7 g/mol
Molecular Formula C6H14ClNO2S
Exact Mass 199.043378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InYjyIWLM7M
Name D-3-MERCAPTOVALINE, METHYL ESTER, HYDROCHLORIDE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 34297-27-3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H13NO3S HCl
InChI InChI=1S/C6H13NO2S.ClH/c1-6(2,10)4(7)5(8)9-3;/h4,10H,7H2,1-3H3;1H
InChIKey ITHGGMSDPOKFOA-UHFFFAOYSA-N
Melting Point 180-182C (dec.)
Molecular Weight 199.70
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms VALINE, 3-MERCAPTO-, METHYL ESTER, HYDROCHLORIDE, D-, PENICILLAMINE, METHYL ESTER, HYDROCHLORIDE, D-,