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2-Pentenoic acid, 3-methyl-4-(phenylthio)-, butyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

2-Pentenoic acid, 3-methyl-4-(phenylthio)-, butyl ester, (E)-
SpectraBase Compound ID 5bg0RtTdQKh
InChI InChI=1S/C16H22O2S/c1-4-5-11-18-16(17)12-13(2)14(3)19-15-9-7-6-8-10-15/h6-10,12,14H,4-5,11H2,1-3H3/b13-12+
InChIKey BXISUUKAKIPXKZ-OUKQBFOZSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcmS9ZTWtVR
Name 2-Pentenoic acid, 3-methyl-4-(phenylthio)-, butyl ester, (E)-
CAS Registry Number 88087-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-4-5-11-18-16(17)12-13(2)14(3)19-15-9-7-6-8-10-15/h6-10,12,14H,4-5,11H2,1-3H3/b13-12+
InChIKey BXISUUKAKIPXKZ-OUKQBFOZSA-N
Molecular Weight 278.410 g/mol
SMILES C(\C(=C\C(=O)OCCCC)C)(Sc1ccccc1)C
SPLASH splash10-03di-0910000000-b312f8c38e0963a5a2ef
Source of Spectrum KC-1986-1703-0
Wiley ID 1281994