| SpectraBase Spectrum ID |
Ar6AI8HREVx |
| Name |
2,6-Dichlorobenzoic acid, 2,6-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.912190231 u |
| Formula |
C13H6Cl4O2 |
| InChI |
InChI=1S/C13H6Cl4O2/c14-7-3-1-4-8(15)11(7)13(18)19-12-9(16)5-2-6-10(12)17/h1-6H |
| InChIKey |
HPJVLKRIWVAIPT-UHFFFAOYSA-N |
| Molecular Weight |
336.001 g/mol |
| SMILES |
C1=C(C(=C(C=C1)Cl)C(OC=1C(=CC=CC1Cl)Cl)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.986556 |
