| SpectraBase Spectrum ID |
1KxdO63sant |
| Name |
2,5-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/c14-8-1-4-10(5-2-8)18-13(17)11-7-9(15)3-6-12(11)16/h1-7H |
| InChIKey |
ZZSJFXRNCMVQCY-UHFFFAOYSA-N |
| Molecular Weight |
268.647 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=C(C=CC(=C1)F)F)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927298 |
