| SpectraBase Spectrum ID |
AVSLOVGMdIF |
| Name |
3-Bromobenzoic 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 |
343.900647863 u |
| Formula |
C13H7BrCl2O2 |
| InChI |
InChI=1S/C13H7BrCl2O2/c14-9-4-1-3-8(7-9)13(17)18-11-6-2-5-10(15)12(11)16/h1-7H |
| InChIKey |
UZHZZVAZYNXTEX-UHFFFAOYSA-N |
| Molecular Weight |
346.007 g/mol |
| SMILES |
C(C1=CC(=CC=C1)Br)(=O)OC1=CC=CC(=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91368 |
