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2-Butenoic acid, 3-methyl-2-[[[2-(phenylmethyl)-4-thiazolyl]carbonyl]amino]-
SpectraBase Compound ID IacrqPtIyuT
InChI InChI=1S/C16H16N2O3S/c1-10(2)14(16(20)21)18-15(19)12-9-22-13(17-12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKey FOXYILNEQMJEQQ-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbIvfFl4LrS
Name 2-Butenoic acid, 3-methyl-2-[[[2-(phenylmethyl)-4-thiazolyl]carbonyl]amino]-
CAS Registry Number 129452-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-10(2)14(16(20)21)18-15(19)12-9-22-13(17-12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKey FOXYILNEQMJEQQ-UHFFFAOYSA-N
Molecular Weight 316.375 g/mol
SMILES N(C(C(=O)O)=C(C)C)C(c1nc(Cc2ccccc2)sc1)=O
SPLASH splash10-0udi-0090000000-0da73ab1632f26a2a7a7
Source of Spectrum KC-1990-291-8
Synonyms 2-(2-Benzylthiazol-4-carbonylamino)-3-methylbut-2-enoicacid 2-{[(2-benzyl-1,3-thiazol-4-yl)carbonyl]amino}-3-methyl-2-butenoic acid
Wiley ID 1316577