| SpectraBase Spectrum ID |
I6IOySkt3iU |
| Name |
2-Chloro-5-nitrobenzoic acid, ester with 2-hydroxyacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.024750121 u |
| Formula |
C15H10ClNO5 |
| InChI |
InChI=1S/C15H10ClNO5/c16-13-7-6-11(17(20)21)8-12(13)15(19)22-9-14(18)10-4-2-1-3-5-10/h1-8H,9H2 |
| InChIKey |
GZVATEIAGYVWFE-UHFFFAOYSA-N |
| Molecular Weight |
319.700 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC(=C(C1)C(OCC(C=1C=CC=CC1)=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.727176 |
