| SpectraBase Compound ID | 7nwHc4Vps5m |
|---|---|
| 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 |
| Mol Weight | 239.18 g/mol |
| Molecular Formula | C10H9NO6 |
| Exact Mass | 239.042987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42kJbAgYsEM |
|---|---|
| Name | 3-(Ethoxycarbonyl)-5-nitrobenzoic acid |
| Comments | Computed using HOSE algorithm |
| 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 |