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

*Links on SpectraBase are not permalinks.

2-(3-Fluoro-4-phenylphenyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(3-Fluoro-4-phenylphenyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester
SpectraBase Compound ID CcPhpZdzsda
InChI InChI=1S/C18H13F7O2/c1-10(15(26)27-16(17(20,21)22)18(23,24)25)12-7-8-13(14(19)9-12)11-5-3-2-4-6-11/h2-10,16H,1H3
InChIKey KIRCEMVMQVLCBA-UHFFFAOYSA-N
Mol Weight 394.29 g/mol
Molecular Formula C18H13F7O2
Exact Mass 394.080377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID ABCukDGxVir
Name 2-(3-Fluoro-4-phenylphenyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.080376798 u
Formula C18H13F7O2
InChI InChI=1S/C18H13F7O2/c1-10(15(26)27-16(17(20,21)22)18(23,24)25)12-7-8-13(14(19)9-12)11-5-3-2-4-6-11/h2-10,16H,1H3
InChIKey KIRCEMVMQVLCBA-UHFFFAOYSA-N
Molecular Weight 394.289 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)OC(C(C=1C=C(F)C(=CC1)C=1C=CC=CC1)C)=O