| SpectraBase Compound ID | 3vHnswAcfa2 |
|---|---|
| InChI | InChI=1S/C13H8N2O6/c16-13(9-3-1-4-10(7-9)14(17)18)21-12-6-2-5-11(8-12)15(19)20/h1-8H |
| InChIKey | NWVBVWLXOAXKNI-UHFFFAOYSA-N |
| Mol Weight | 288.22 g/mol |
| Molecular Formula | C13H8N2O6 |
| Exact Mass | 288.038236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4d2Fd892L1x |
|---|---|
| Name | 3-Nitrobenzoic acid (3-nitrophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.038235980 u |
| Formula | C13H8N2O6 |
| InChI | InChI=1S/C13H8N2O6/c16-13(9-3-1-4-10(7-9)14(17)18)21-12-6-2-5-11(8-12)15(19)20/h1-8H |
| InChIKey | NWVBVWLXOAXKNI-UHFFFAOYSA-N |
| Molecular Weight | 288.215 g/mol |
| SMILES | C1(N(=O)=O)=CC(OC(C=2C=C(N(=O)=O)C=CC2)=O)=CC=C1 |