| SpectraBase Spectrum ID |
9n40vEQCEdK |
| Name |
2,5-Difluorobenzoic acid, 2,3-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.971291157 u |
| Formula |
C13H6Cl2F2O2 |
| InChI |
InChI=1S/C13H6Cl2F2O2/c14-9-2-1-3-11(12(9)15)19-13(18)8-6-7(16)4-5-10(8)17/h1-6H |
| InChIKey |
DAFZKJMTHMUVFO-UHFFFAOYSA-N |
| Molecular Weight |
303.092 g/mol |
| SMILES |
C1(=C(C=CC=C1OC(=O)C1=CC(=CC=C1F)F)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938663 |
