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

*Links on SpectraBase are not permalinks.

2,5-di(Trifluoromethyl)benzoic acid, 2-methoxyethyl ester

View entire compound with spectra: 1 FTIR

2,5-di(Trifluoromethyl)benzoic acid, 2-methoxyethyl ester
SpectraBase Compound ID MV0Xr3ljfb
InChI InChI=1S/C12H10F6O3/c1-20-4-5-21-10(19)8-6-7(11(13,14)15)2-3-9(8)12(16,17)18/h2-3,6H,4-5H2,1H3
InChIKey IPNKALWCIHQLKD-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C12H10F6O3
Exact Mass 316.053413 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 9lxSDXGkme8
Name 2,5-di(Trifluoromethyl)benzoic acid, 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.053413157 u
Formula C12H10F6O3
InChI InChI=1S/C12H10F6O3/c1-20-4-5-21-10(19)8-6-7(11(13,14)15)2-3-9(8)12(16,17)18/h2-3,6H,4-5H2,1H3
InChIKey IPNKALWCIHQLKD-UHFFFAOYSA-N
Molecular Weight 316.199 g/mol
SMILES C1(=C(C=C(C=C1)C(F)(F)F)C(=O)OCCOC)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934547