| SpectraBase Spectrum ID |
3ESrApakyCV |
| Name |
2,6-Difluorobenzoic acid, 4-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.010263489 u |
| Formula |
C13H7ClF2O2 |
| InChI |
InChI=1S/C13H7ClF2O2/c14-8-4-6-9(7-5-8)18-13(17)12-10(15)2-1-3-11(12)16/h1-7H |
| InChIKey |
AQUGJAIAJWQALG-UHFFFAOYSA-N |
| Molecular Weight |
268.647 g/mol |
| SMILES |
C1=CC=C(C(=C1F)C(OC1=CC=C(C=C1)Cl)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962423 |
