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3-Hexenoic acid, 2-ethyl-2-(phenylthio)-, methyl ester, (E)-
SpectraBase Compound ID Fqsely19r0M
InChI InChI=1S/C15H20O2S/c1-4-6-12-15(5-2,14(16)17-3)18-13-10-8-7-9-11-13/h6-12H,4-5H2,1-3H3/b12-6+
InChIKey KJFAYFNJFOPLQK-WUXMJOGZSA-N
Mol Weight 264.38 g/mol
Molecular Formula C15H20O2S
Exact Mass 264.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LScaWV2IFjl
Name 3-Hexenoic acid, 2-ethyl-2-(phenylthio)-, methyl ester, (E)-
CAS Registry Number 86895-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2S
InChI InChI=1S/C15H20O2S/c1-4-6-12-15(5-2,14(16)17-3)18-13-10-8-7-9-11-13/h6-12H,4-5H2,1-3H3/b12-6+
InChIKey KJFAYFNJFOPLQK-WUXMJOGZSA-N
Molecular Weight 264.383 g/mol
SMILES C(C(=O)OC)(Sc1ccccc1)(\C=C\CC)CC
SPLASH splash10-0bt9-0910000000-e0e05ca218a3d83765a3
Source of Spectrum KC-1986-1952-16
Wiley ID 1267900