| SpectraBase Spectrum ID |
HTDlcvQ9ltJ |
| Name |
3-Chloro-2-fluorobenzoic acid, 3-fluorophenyl 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/c14-11-6-2-5-10(12(11)16)13(17)18-9-4-1-3-8(15)7-9/h1-7H |
| InChIKey |
NVDYJXHBACKAGI-UHFFFAOYSA-N |
| Molecular Weight |
268.647 g/mol |
| SMILES |
C1=C(C(=C(C=C1)Cl)F)C(=O)OC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887145 |
