| SpectraBase Spectrum ID |
HYcS4ca4TNT |
| Name |
2,6-Difluoro-3-methylbenzoic 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 |
315.986941222 u |
| Formula |
C14H8Cl2F2O2 |
| InChI |
InChI=1S/C14H8Cl2F2O2/c1-7-5-6-9(17)11(13(7)18)14(19)20-10-4-2-3-8(15)12(10)16/h2-6H,1H3 |
| InChIKey |
MBCYNAZFXGUUAR-UHFFFAOYSA-N |
| Molecular Weight |
317.119 g/mol |
| SMILES |
C1(=C(C=CC(=C1F)C)F)C(=O)OC1=CC=CC(=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881506 |
