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(Z)-4-(2-mercaptoanilino)-4-oxo-2-butenoic acid
SpectraBase Compound ID D3DvJUEpMFP
InChI InChI=1S/C10H9NO3S/c12-9(5-6-10(13)14)11-7-3-1-2-4-8(7)15/h1-6,15H,(H,11,12)(H,13,14)/b6-5-
InChIKey LKLMQUNWQWPKES-WAYWQWQTSA-N
Mol Weight 223.25 g/mol
Molecular Formula C10H9NO3S
Exact Mass 223.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRN00MCGjWa
Name (Z)-4-(2-mercaptoanilino)-4-oxo-2-butenoic acid
CAS Registry Number 90704-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO3S
InChI InChI=1S/C10H9NO3S/c12-9(5-6-10(13)14)11-7-3-1-2-4-8(7)15/h1-6,15H,(H,11,12)(H,13,14)/b6-5-
InChIKey LKLMQUNWQWPKES-WAYWQWQTSA-N
Molecular Weight 223.246 g/mol
SMILES N(C(\C=C/C(=O)O)=O)c1c(cccc1)S
SPLASH splash10-00di-5900000000-4d5c1fa385508893070f
Source of Spectrum B-39-507-1
Synonyms (Z)-4-keto-4-(2-mercaptoanilino)but-2-enoic acid (Z)-4-oxidanylidene-4-[(2-sulfanylphenyl)amino]but-2-enoic acid (Z)-4-oxo-4-(2-sulfanylanilino)but-2-enoic acid
Wiley ID 1223776