| SpectraBase Spectrum ID |
K8qahIulcvP |
| Name |
4-Chloro-3-nitrobenzoic acid, [(4-chloro-o-tolyl)oxy]methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.001427853 u |
| Formula |
C15H11Cl2NO5 |
| InChI |
InChI=1S/C15H11Cl2NO5/c1-9-6-11(16)3-5-14(9)22-8-23-15(19)10-2-4-12(17)13(7-10)18(20)21/h2-7H,8H2,1H3 |
| InChIKey |
SVBOMVRVRUYCOH-UHFFFAOYSA-N |
| Molecular Weight |
356.161 g/mol |
| SMILES |
N(=O)(=O)C=1C(=CC=C(C1)C(OCOC=1C(=CC(=CC1)Cl)C)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.860251 |
![4-Chloro-3-nitrobenzoic acid, [(4-chloro-o-tolyl)oxy]methyl ester](/api/spectrum/K8qahIulcvP/structure.png?h=300&w=458 "4-Chloro-3-nitrobenzoic acid, [(4-chloro-o-tolyl)oxy]methyl ester")
