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4-Pentenoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Pentenoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
SpectraBase Compound ID IlU3T3LjqFk
InChI InChI=1S/C14H15F3O2S/c1-3-10-13(14(15,16)17,12(18)19-4-2)20-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3
InChIKey ZPHLTSBGGCBWKM-UHFFFAOYSA-N
Mol Weight 304.33 g/mol
Molecular Formula C14H15F3O2S
Exact Mass 304.074485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxotEwrI61c
Name 4-Pentenoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
Alternate Name(s) Ethyl 2-(phenylsulfanyl)-2-(trifluoromethyl)-4-pentenoate Ethyl 2-(phenylthio)-2-(trifluoromethyl)-4-pentenoate
CAS Registry Number 134427-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F3O2S
InChI InChI=1S/C14H15F3O2S/c1-3-10-13(14(15,16)17,12(18)19-4-2)20-11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3
InChIKey ZPHLTSBGGCBWKM-UHFFFAOYSA-N
Molecular Weight 304.327 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)(Sc1ccccc1)CC=C
SPLASH splash10-0ap0-2910000000-1808b9f0ef306abc5c5f
Source of Spectrum F-47-1640-6
Wiley ID 1306117