| SpectraBase Spectrum ID |
HNeD2fBhehM |
| Name |
2,6-Difluoro-3-methylbenzoic acid, phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.064885886 u |
| Formula |
C14H10F2O2 |
| InChI |
InChI=1S/C14H10F2O2/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey |
LOLMGBOAXPTHMF-UHFFFAOYSA-N |
| Molecular Weight |
248.229 g/mol |
| SMILES |
C1=CC=C(C=C1)OC(C1=C(C(=CC=C1F)C)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902357 |
