| SpectraBase Spectrum ID |
5juKnDanW4K |
| Name |
3-Methylbenzoic acid, 2,5-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.005784960 u |
| Formula |
C14H10Cl2O2 |
| InChI |
InChI=1S/C14H10Cl2O2/c1-9-3-2-4-10(7-9)14(17)18-13-8-11(15)5-6-12(13)16/h2-8H,1H3 |
| InChIKey |
FYRYJAWPUIRANM-UHFFFAOYSA-N |
| Molecular Weight |
281.138 g/mol |
| SMILES |
C(=O)(OC1=CC(=CC=C1Cl)Cl)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88734 |
