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2-Pentenoic acid, 3-[(phenylthio)methyl]-, methyl ester, (E)-
SpectraBase Compound ID KOOzU9izQt4
InChI InChI=1S/C13H16O2S/c1-3-11(9-13(14)15-2)10-16-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3/b11-9+
InChIKey YZUHLTHDPQWBIV-PKNBQFBNSA-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 Ce8RqfaxKqe
Name 2-Pentenoic acid, 3-[(phenylthio)methyl]-, methyl ester, (E)-
CAS Registry Number 88087-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-3-11(9-13(14)15-2)10-16-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3/b11-9+
InChIKey YZUHLTHDPQWBIV-PKNBQFBNSA-N
Molecular Weight 236.329 g/mol
SMILES C(\C=C\(CSc1ccccc1)CC)(=O)OC
SPLASH splash10-002r-0790000000-834ca52e756d1a737284
Source of Spectrum KC-1986-1705-65
Wiley ID 1237975