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2-Pentenoic acid, 3-methyl-4-(phenylthio)-, methyl ester, (E)-
SpectraBase Compound ID 7IOEBhO344w
InChI InChI=1S/C13H16O2S/c1-10(9-13(14)15-3)11(2)16-12-7-5-4-6-8-12/h4-9,11H,1-3H3/b10-9+
InChIKey RAMAZFXVPWFANO-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 1NiYuaKrGn5
Name 2-Pentenoic acid, 3-methyl-4-(phenylthio)-, methyl ester, (E)-
CAS Registry Number 88087-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-10(9-13(14)15-3)11(2)16-12-7-5-4-6-8-12/h4-9,11H,1-3H3/b10-9+
InChIKey RAMAZFXVPWFANO-MDZDMXLPSA-N
Molecular Weight 236.329 g/mol
SMILES C(\C(=C\C(=O)OC)C)(Sc1ccccc1)C
SPLASH splash10-06vi-0910000000-db9e141317a8f28504af
Source of Spectrum KC-1986-1705-65
Wiley ID 1237974