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3-Pentenoic acid, 3-[1-(phenylthio)ethyl]-, butyl ester
SpectraBase Compound ID 2Gq0BkEfjtP
InChI InChI=1S/C17H24O2S/c1-4-6-12-19-17(18)13-15(5-2)14(3)20-16-10-8-7-9-11-16/h5,7-11,14H,4,6,12-13H2,1-3H3/b15-5+
InChIKey WPOYLCMDHAHKMM-PJQLUOCWSA-N
Mol Weight 292.44 g/mol
Molecular Formula C17H24O2S
Exact Mass 292.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElNIw2MRofr
Name 3-Pentenoic acid, 3-[1-(phenylthio)ethyl]-, butyl ester
Alternate Name(s) Butyl (3E)-3-[1-(phenylsulfanyl)ethyl]-3-pentenoate Butyl 3-(1-phenylthioethyl)pent-3-enoate
CAS Registry Number 108378-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2S
InChI InChI=1S/C17H24O2S/c1-4-6-12-19-17(18)13-15(5-2)14(3)20-16-10-8-7-9-11-16/h5,7-11,14H,4,6,12-13H2,1-3H3/b15-5+
InChIKey WPOYLCMDHAHKMM-PJQLUOCWSA-N
Molecular Weight 292.437 g/mol
SMILES C(\C(CC(=O)OCCCC)=C\C)(Sc1ccccc1)C
SPLASH splash10-01t9-0910000000-0840077b0771d4dbd577
Source of Spectrum KC-1986-1704-0
Wiley ID 1295525