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

*Links on SpectraBase are not permalinks.

Methyl 2',5'-bis(trifluoromethyl)-biphenyl-4-carboxylate

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

Methyl 2',5'-bis(trifluoromethyl)-biphenyl-4-carboxylate
SpectraBase Compound ID Eslodkoo6pw
InChI InChI=1S/C16H10F6O2/c1-24-14(23)10-4-2-9(3-5-10)12-8-11(15(17,18)19)6-7-13(12)16(20,21)22/h2-8H,1H3
InChIKey DUOGCXWXDBTAOA-UHFFFAOYSA-N
Mol Weight 348.24 g/mol
Molecular Formula C16H10F6O2
Exact Mass 348.058499 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DAqfiqeW5Sz
Name Methyl 2',5'-bis(trifluoromethyl)-biphenyl-4-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.058498538 u
Formula C16H10F6O2
InChI InChI=1S/C16H10F6O2/c1-24-14(23)10-4-2-9(3-5-10)12-8-11(15(17,18)19)6-7-13(12)16(20,21)22/h2-8H,1H3
InChIKey DUOGCXWXDBTAOA-UHFFFAOYSA-N
Molecular Weight 348.244 g/mol
SMILES C=1C=C(C=CC1C1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803593