| SpectraBase Spectrum ID |
5iDZnfT7ldq |
| Name |
3-(Ethoxycarbonyl)-5-nitrobenzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.042987008 u |
| Formula |
C10H9NO6 |
| InChI |
InChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13) |
| InChIKey |
HOYHBDFTELAGGG-UHFFFAOYSA-N |
| Molecular Weight |
239.183 g/mol |
| SMILES |
C1(N(=O)=O)=CC(=CC(=C1)C(=O)O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92817 |
