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4-Methyl-3-oxo-5-phenyl-3,4,7,8-tetrahydro-2H-1,4-thiazocin-7-carboxylic Acid
SpectraBase Compound ID G4G6wkoO4W8
InChI InChI=1S/C14H15NO3S/c1-15-12(10-5-3-2-4-6-10)7-11(14(17)18)8-19-9-13(15)16/h2-7,11H,8-9H2,1H3,(H,17,18)/b12-7-
InChIKey VALYYVKSDLYHPR-GHXNOFRVSA-N
Mol Weight 277.34 g/mol
Molecular Formula C14H15NO3S
Exact Mass 277.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17M4agh2TTZ
Name 4-Methyl-3-oxo-5-phenyl-3,4,7,8-tetrahydro-2H-1,4-thiazocin-7-carboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3S
InChI InChI=1S/C14H15NO3S/c1-15-12(10-5-3-2-4-6-10)7-11(14(17)18)8-19-9-13(15)16/h2-7,11H,8-9H2,1H3,(H,17,18)/b12-7-
InChIKey VALYYVKSDLYHPR-GHXNOFRVSA-N
Molecular Weight 277.338 g/mol
SMILES OC(C1\C=C\(N(C(=O)CSC1)C)c1ccccc1)=O
SPLASH splash10-0072-9450000000-0a4d5c8f5eab024771a8
Source of Spectrum U1-2009-5435-14
Synonyms (5Z)-4-methyl-3-oxo-5-phenyl-7,8-dihydro-1,4-thiazocine-7-carboxylic acid (5Z)-4-methyl-3-oxidanylidene-5-phenyl-7,8-dihydro-1,4-thiazocine-7-carboxylic acid
Wiley ID 1697281