| SpectraBase Spectrum ID |
4XZvSxNsGt1 |
| Name |
2,5-Difluorobenzoic 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 |
301.971291157 u |
| Formula |
C13H6Cl2F2O2 |
| InChI |
InChI=1S/C13H6Cl2F2O2/c14-10-3-2-8(6-11(10)15)19-13(18)9-5-7(16)1-4-12(9)17/h1-6H |
| InChIKey |
LQGUUHGHXIRVMM-UHFFFAOYSA-N |
| Molecular Weight |
303.092 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC(C1=C(C=CC(=C1)F)F)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942359 |
