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4-Pentenoic acid, 2-[(ethylthio)carbonyl]-2-methyl-5-phenyl-, ethyl ester
SpectraBase Compound ID 3YFwRl4Auas
InChI InChI=1S/C17H22O3S/c1-4-20-15(18)17(3,16(19)21-5-2)13-9-12-14-10-7-6-8-11-14/h6-12H,4-5,13H2,1-3H3/b12-9-
InChIKey PUKIKXOTEBEDAX-XFXZXTDPSA-N
Mol Weight 306.42 g/mol
Molecular Formula C17H22O3S
Exact Mass 306.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPA40XbzRJq
Name 4-Pentenoic acid, 2-[(ethylthio)carbonyl]-2-methyl-5-phenyl-, ethyl ester
Alternate Name(s) Ethyl (4Z)-2-[(ethylsulfanyl)carbonyl]-2-methyl-5-phenyl-4-pentenoate
CAS Registry Number 114739-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3S
InChI InChI=1S/C17H22O3S/c1-4-20-15(18)17(3,16(19)21-5-2)13-9-12-14-10-7-6-8-11-14/h6-12H,4-5,13H2,1-3H3/b12-9-
InChIKey PUKIKXOTEBEDAX-XFXZXTDPSA-N
Molecular Weight 306.420 g/mol
SMILES C(C(=O)SCC)(C(=O)OCC)(C\C=C/c1ccccc1)C
SPLASH splash10-014i-0930000000-e9241ad64b47ff9e7ab2
Source of Spectrum C-110-4651-8
Wiley ID 1308038