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2-Pentenoic acid, 4-(phenylthio)-, ethyl ester, (E)-
SpectraBase Compound ID 76wXXcWvRi3
InChI InChI=1S/C13H16O2S/c1-3-15-13(14)10-9-11(2)16-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+
InChIKey SOCLKNLMKGQVLY-MDZDMXLPSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFwfH4kUbU9
Name 2-Pentenoic acid, 4-(phenylthio)-, ethyl ester, (E)-
CAS Registry Number 88087-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-3-15-13(14)10-9-11(2)16-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+
InChIKey SOCLKNLMKGQVLY-MDZDMXLPSA-N
Molecular Weight 236.329 g/mol
SMILES C(\C=C\C(Sc1ccccc1)C)(=O)OCC
SPLASH splash10-08mj-5910000000-52f516b8a07c364d8dc0
Source of Spectrum KC-1986-1703-0
Wiley ID 1237973