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2-Butenoic acid, 3-phenyl-4-(phenylthio)-, methyl ester, (E)-
SpectraBase Compound ID K82VnpoDy9F
InChI InChI=1S/C17H16O2S/c1-19-17(18)12-15(14-8-4-2-5-9-14)13-20-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b15-12-
InChIKey NHFQHIHAAQHLSE-QINSGFPZSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1lJuXq7KmS
Name 2-Butenoic acid, 3-phenyl-4-(phenylthio)-, methyl ester, (E)-
Alternate Name(s) E-methyl 3-phenyl-4-phenylthiobut-2-enoate Methyl (2E)-3-phenyl-4-(phenylsulfanyl)-2-butenoate
CAS Registry Number 108378-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c1-19-17(18)12-15(14-8-4-2-5-9-14)13-20-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b15-12-
InChIKey NHFQHIHAAQHLSE-QINSGFPZSA-N
Molecular Weight 284.373 g/mol
SMILES C(\C=C\(CSc1ccccc1)c1ccccc1)(=O)OC
SPLASH splash10-00lr-0690000000-fef06bc01f954523b22e
Source of Spectrum KC-1986-1705-65
Wiley ID 1288023