| SpectraBase Compound ID | dm01AkFZDh |
|---|---|
| InChI | InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12) |
| InChIKey | DJMQLZPEBHSABD-UHFFFAOYSA-N |
| Mol Weight | 225.16 g/mol |
| Molecular Formula | C9H7NO6 |
| Exact Mass | 225.027337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4fpWzIZPPb |
|---|---|
| Name | 2-(Methoxycarbonyl)-6-nitrobenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.027336943 u |
| Formula | C9H7NO6 |
| InChI | InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12) |
| InChIKey | DJMQLZPEBHSABD-UHFFFAOYSA-N |
| Molecular Weight | 225.156 g/mol |
| SMILES | C1(=C(N(=O)=O)C=CC=C1C(=O)OC)C(=O)O |