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3-Oxo-PrMCA

View entire compound with spectra: 1 MS (GC)

3-Oxo-PrMCA
SpectraBase Compound ID AFKD1wHQugz
InChI InChI=1S/C8H13NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h3,7H,2,4-5H2,1H3,(H,9,11)(H,12,13)/t7-/m1/s1
InChIKey OOMVCGSUXLINOO-SSDOTTSWSA-N
Mol Weight 219.25 g/mol
Molecular Formula C8H13NO4S
Exact Mass 219.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dmaC4nusDS
Name 3-Oxo-PrMCA
Alternate Name(s) S-(3'-Oxopropyl)-N-acetylcysteine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO4S
InChI InChI=1S/C8H13NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h3,7H,2,4-5H2,1H3,(H,9,11)(H,12,13)/t7-/m1/s1
InChIKey OOMVCGSUXLINOO-SSDOTTSWSA-N
Molecular Weight 219.255 g/mol
SMILES OC([C@](NC(=O)C)(CSCCC=O)[H])=O
SPLASH splash10-03yl-0920000000-d20e643aa985c9cd364b
Source of Spectrum CRT-8-517-fig.2/cpd.3
Wiley ID 1709499