| SpectraBase Spectrum ID |
4ZoqCoBCaR4 |
| Name |
Methyl 3-chloro-2-hydroxy-5-(2'-hydroxy-5'-chlorobenzoyl)-benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.990528817 u |
| Formula |
C15H10Cl2O5 |
| InChI |
InChI=1S/C15H10Cl2O5/c1-22-15(21)10-4-7(5-11(17)14(10)20)13(19)9-6-8(16)2-3-12(9)18/h2-6,18,20H,1H3 |
| InChIKey |
XRUZVJWBEFBKTP-UHFFFAOYSA-N |
| Molecular Weight |
341.146 g/mol |
| SMILES |
C1(=CC(C(C=2C(=CC=C(C2)Cl)O)=O)=CC(=C1O)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97357 |
