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

*Links on SpectraBase are not permalinks.
Acetic acid, trifluoro-, 1-[(phenylthio)methyl]propyl ester
SpectraBase Compound ID FModU9xCQB6
InChI InChI=1S/C12H13F3O2S/c1-2-9(17-11(16)12(13,14)15)8-18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKey UWXRAVNQXXFSKA-UHFFFAOYSA-N
Mol Weight 278.29 g/mol
Molecular Formula C12H13F3O2S
Exact Mass 278.058835 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 He2fQ5b2erH
Name Acetic acid, trifluoro-, 1-[(phenylthio)methyl]propyl ester
Alternate Name(s) 1-(Phenylthiomethyl)propyltrifluoroacetate 1-[(phenylsulfanyl)methyl]propyl trifluoroacetate
CAS Registry Number 66164-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2S
InChI InChI=1S/C12H13F3O2S/c1-2-9(17-11(16)12(13,14)15)8-18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKey UWXRAVNQXXFSKA-UHFFFAOYSA-N
Molecular Weight 278.289 g/mol
SMILES C(C(OC(CSc1ccccc1)CC)=O)(F)(F)F
SPLASH splash10-08or-3930000000-5cee2ef82fa42d3dd08c
Source of Spectrum KC-1977-20-2282
Wiley ID 1281515