SpectraBase Spectrum ID |
Ey678nmsVl6 |
Name |
2,5-Difluorobenzoic acid, phenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.049235822 u |
Formula |
C13H8F2O2 |
InChI |
InChI=1S/C13H8F2O2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h1-8H |
InChIKey |
BGYKTOQZECZEJH-UHFFFAOYSA-N |
Molecular Weight |
234.202 g/mol |
SMILES |
C1=CC=C(C=C1)OC(C1=C(C=CC(=C1)F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953021 |