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

View entire compound with spectra: 1 MS (GC)

4-Pentynoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
SpectraBase Compound ID 810BWpN5PDP
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/h1,5-9H,4,10H2,2H3
InChIKey VORQYECSDGVEJO-UHFFFAOYSA-N
Mol Weight 302.31 g/mol
Molecular Formula C14H13F3O2S
Exact Mass 302.058835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZa1zbVFW9T
Name 4-Pentynoic acid, 2-(phenylthio)-2-(trifluoromethyl)-, ethyl ester, (.+-.)-
Alternate Name(s) Ethyl 2-(phenylsulfanyl)-2-(trifluoromethyl)-4-pentynoate Ethyl 2-(pheylthio)-2-(trifluoromethyl)-4-pentynoate
CAS Registry Number 134427-79-5
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/h1,5-9H,4,10H2,2H3
InChIKey VORQYECSDGVEJO-UHFFFAOYSA-N
Molecular Weight 302.311 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)(Sc1ccccc1)CC#C
SPLASH splash10-0bvi-1921000000-0c1705a4980f880e1162
Source of Spectrum F-47-1642-6
Wiley ID 1304329