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2-Butenoic acid, 4-oxo-4-(2-thiazolyl)-, methyl ester
SpectraBase Compound ID 43v2RL64NG6
InChI InChI=1S/C8H7NO3S/c1-12-7(11)3-2-6(10)8-9-4-5-13-8/h2-5H,1H3/b3-2+
InChIKey NVQYVGYSOGMEBY-NSCUHMNNSA-N
Mol Weight 197.21 g/mol
Molecular Formula C8H7NO3S
Exact Mass 197.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbqhV8T3PPp
Name 2-Butenoic acid, 4-oxo-4-(2-thiazolyl)-, methyl ester
CAS Registry Number 112969-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO3S
InChI InChI=1S/C8H7NO3S/c1-12-7(11)3-2-6(10)8-9-4-5-13-8/h2-5H,1H3/b3-2+
InChIKey NVQYVGYSOGMEBY-NSCUHMNNSA-N
Molecular Weight 197.208 g/mol
SMILES c1(nccs1)C(\C=C\C(=O)OC)=O
SPLASH splash10-01p9-0900000000-8f57aab1262460ae3016
Source of Spectrum J-53-1758-14
Synonyms 2-Methoxycarbonylethenylcarbonyl-thiazole Methyl (2E)-4-oxo-4-(1,3-thiazol-2-yl)-2-butenoate
Wiley ID 1194250