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4-Hexenoic acid, 5-methyl-2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Hexenoic acid, 5-methyl-2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
SpectraBase Compound ID DknW4avmkaf
InChI InChI=1S/C16H19F3O2S/c1-4-21-14(20)15(16(17,18)19,11-10-12(2)3)22-13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKey CZHYQSMKSNWQJF-UHFFFAOYSA-N
Mol Weight 332.38 g/mol
Molecular Formula C16H19F3O2S
Exact Mass 332.105786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DqA2gKiBpx
Name 4-Hexenoic acid, 5-methyl-2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
Alternate Name(s) Ethyl 5-methyl-2-(phenylsulfanyl)-2-(trifluoromethyl)-4-hexenoate Ethyl 5-methyl-2-(phenylthio)-2-(trifluoromethyl)-4-hexenoate
CAS Registry Number 134427-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O2S
InChI InChI=1S/C16H19F3O2S/c1-4-21-14(20)15(16(17,18)19,11-10-12(2)3)22-13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKey CZHYQSMKSNWQJF-UHFFFAOYSA-N
Molecular Weight 332.381 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)(Sc1ccccc1)CC=C(C)C
SPLASH splash10-0300-7790000000-ffa14f11666538f6a6ba
Source of Spectrum F-47-1641-6
Wiley ID 1329178