For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3,4-Pentadienoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

3,4-Pentadienoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
SpectraBase Compound ID GvuSCfwJ3oe
InChI InChI=1S/C14H13F3O2S/c1-3-10-13(14(15,16)17,12(18)19-4-2)20-11-8-6-5-7-9-11/h5-10H,1,4H2,2H3
InChIKey VRCFRTOFLBNYJR-UHFFFAOYSA-N
Mol Weight 302.31 g/mol
Molecular Formula C14H13F3O2S
Exact Mass 302.058835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IDUccl10k2r
Name 3,4-Pentadienoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
Alternate Name(s) Ethyl 2-(phenylsulfanyl)-2-(trifluoromethyl)-3,4-pentadienoate Ethyl 2-(phenylthio)-2-(trifluoromethyl)-3,4-pentadienoate
CAS Registry Number 134427-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3O2S
InChI InChI=1S/C14H13F3O2S/c1-3-10-13(14(15,16)17,12(18)19-4-2)20-11-8-6-5-7-9-11/h5-10H,1,4H2,2H3
InChIKey VRCFRTOFLBNYJR-UHFFFAOYSA-N
Molecular Weight 302.311 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)(Sc1ccccc1)C=C=C
SPLASH splash10-014l-3900000000-f54cdd731cf54fdd8d38
Source of Spectrum F-47-1641-6
Wiley ID 1304328