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

*Links on SpectraBase are not permalinks.

m-Toluic acid, 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

m-Toluic acid, 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 6N9D7hUjKFe
InChI InChI=1S/C14H10BrFO2/c1-9-3-2-4-10(7-9)14(17)18-13-6-5-11(16)8-12(13)15/h2-8H,1H3
InChIKey WSJFXYHUMAQJTC-UHFFFAOYSA-N
Mol Weight 309.13 g/mol
Molecular Formula C14H10BrFO2
Exact Mass 307.984821 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 F2uH9Y3ROUV
Name m-Toluic acid, 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.984820723 u
Formula C14H10BrFO2
InChI InChI=1S/C14H10BrFO2/c1-9-3-2-4-10(7-9)14(17)18-13-6-5-11(16)8-12(13)15/h2-8H,1H3
InChIKey WSJFXYHUMAQJTC-UHFFFAOYSA-N
Molecular Weight 309.134 g/mol
SMILES C1=CC(C(OC2=C(C=C(C=C2)F)Br)=O)=CC(=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882108