| SpectraBase Spectrum ID |
F5n2twosGH9 |
| Name |
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 |
280.005784960 u |
| Formula |
C14H10Cl2O2 |
| InChI |
InChI=1S/C14H10Cl2O2/c1-9-4-2-5-10(8-9)14(17)18-12-7-3-6-11(15)13(12)16/h2-8H,1H3 |
| InChIKey |
OTCVTJMXUYAIGT-UHFFFAOYSA-N |
| Molecular Weight |
281.138 g/mol |
| SMILES |
C(C1=CC(=CC=C1)C)(OC1=CC=CC(=C1Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897753 |
