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2-Propenoic acid, 2-[(4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio]-3-hydroxy-3-phenyl-, methyl ester
SpectraBase Compound ID CQB0BnUECFZ
InChI InChI=1S/C14H16N2O3S/c1-16-9-8-15-14(16)20-12(13(18)19-2)11(17)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/b12-11+
InChIKey WACSGPAVWXFCAP-VAWYXSNFSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1nWVWhthuC
Name 2-Propenoic acid, 2-[(4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio]-3-hydroxy-3-phenyl-, methyl ester
Alternate Name(s) Methyl (2E)-3-hydroxy-2-[(1-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-3-phenyl-2-propenoate Methyl 2-(1'-methyl-2'-imidazoline-2'-thiyl)-2-benzoylacetate
CAS Registry Number 59863-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-16-9-8-15-14(16)20-12(13(18)19-2)11(17)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3/b12-11+
InChIKey WACSGPAVWXFCAP-VAWYXSNFSA-N
Molecular Weight 292.353 g/mol
SMILES O\C(=C/(SC=1N(CCN1)C)C(=O)OC)c1ccccc1
SPLASH splash10-0a6r-4910000000-6da8aee7e02b239e1b42
Source of Spectrum C-98-3694-0
Wiley ID 1295143