| SpectraBase Spectrum ID |
KPopCADZO1b |
| Name |
3-Chloro-2-fluorobenzoic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.941740694 u |
| Formula |
C13H6Cl3FO2 |
| InChI |
InChI=1S/C13H6Cl3FO2/c14-9-5-4-7(6-11(9)16)19-13(18)8-2-1-3-10(15)12(8)17/h1-6H |
| InChIKey |
UQUHAAHZWIDVOX-UHFFFAOYSA-N |
| Molecular Weight |
319.546 g/mol |
| SMILES |
C1=C(C(=C(C=C1)Cl)F)C(=O)OC1=CC(=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951456 |
