| SpectraBase Spectrum ID |
IuYiTm8yQrf |
| Name |
3-Methoxybenzoic 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 |
296.000699579 u |
| Formula |
C14H10Cl2O3 |
| InChI |
InChI=1S/C14H10Cl2O3/c1-18-11-4-2-3-9(7-11)14(17)19-13-8-10(15)5-6-12(13)16/h2-8H,1H3 |
| InChIKey |
QTCXSYCWXWSZCJ-UHFFFAOYSA-N |
| Molecular Weight |
297.137 g/mol |
| SMILES |
C1=CC(Cl)=C(C=C1Cl)OC(C1=CC=CC(=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917217 |
