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3-Oxo-PrMCA S-Oxide
SpectraBase Compound ID oqX4um1DrM
InChI InChI=1S/C8H13NO5S/c1-6(11)9-7(8(12)13)5-15(14)4-2-3-10/h3,7H,2,4-5H2,1H3,(H,9,11)(H,12,13)/t7-,15?/m1/s1
InChIKey HTCWLIOCHGVDJH-ZVHFFGPBSA-N
Mol Weight 235.25 g/mol
Molecular Formula C8H13NO5S
Exact Mass 235.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6i6tQLjVeOr
Name 3-Oxo-PrMCA S-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO5S
InChI InChI=1S/C8H13NO5S/c1-6(11)9-7(8(12)13)5-15(14)4-2-3-10/h3,7H,2,4-5H2,1H3,(H,9,11)(H,12,13)/t7-,15?/m1/s1
InChIKey HTCWLIOCHGVDJH-ZVHFFGPBSA-N
Molecular Weight 235.254 g/mol
SMILES OC([C@](NC(=O)C)(CS(=O)CCC=O)[H])=O
SPLASH splash10-01q9-6930000000-1ee7cb5859b0990c5eb9
Source of Spectrum CRT-8-517-fig.2/cpd.4
Synonyms S-(3'-Oxopropyl)-N-acetylcysteine S-Oxide
Wiley ID 1709498