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2-Pentenoic acid, 4-(phenylthio)-, methyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

2-Pentenoic acid, 4-(phenylthio)-, methyl ester, (E)-
SpectraBase Compound ID GkVOKfzS8Vt
InChI InChI=1S/C12H14O2S/c1-10(8-9-12(13)14-2)15-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKey VOYXAGVYYPWPKP-CMDGGOBGSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsWygnPZ2a0
Name 2-Pentenoic acid, 4-(phenylthio)-, methyl ester, (E)-
CAS Registry Number 88087-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-10(8-9-12(13)14-2)15-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKey VOYXAGVYYPWPKP-CMDGGOBGSA-N
Molecular Weight 222.302 g/mol
SMILES C(\C=C\C(Sc1ccccc1)C)(=O)OC
SPLASH splash10-03di-0910000000-177a16ec1937bee2823e
Source of Spectrum KC-1986-1705-63
Wiley ID 1222142