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D-N-ACETYL-3-MERCAPTOVALINE
SpectraBase Compound ID 2fcBHKepA84
InChI InChI=1S/2C7H13NO3S.Na/c2*1-4(9)8-5(6(10)11)7(2,3)12;/h2*5,12H,1-3H3,(H,8,9)(H,10,11);/q;;+1/p-1
InChIKey GJUZOBTVHZKUHE-UHFFFAOYSA-M
Mol Weight 404.47 g/mol
Molecular Formula C14H25N2NaO6S2
Exact Mass 404.105173 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LyMW9EYxh2z
Name D-N-ACETYL-3-MERCAPTOVALINE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 15537-71-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO3S
InChI InChI=1S/2C7H13NO3S.Na/c2*1-4(9)8-5(6(10)11)7(2,3)12;/h2*5,12H,1-3H3,(H,8,9)(H,10,11);/q;;+1/p-1
InChIKey GJUZOBTVHZKUHE-UHFFFAOYSA-M
Melting Point 185-190C (dec.)
Molecular Weight 191.25
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PENICILLAMINE, N-ACETYL-, D-, VALINE, N-ACETYL-3-MERCAPTO-, D-,