| SpectraBase Compound ID | 57KlNw0fbM2 |
|---|---|
| InChI | InChI=1S/C14H9NO5/c16-9-10-1-3-11(4-2-10)14(17)20-13-7-5-12(6-8-13)15(18)19/h1-9H |
| InChIKey | DRPWQWRXUPSARG-UHFFFAOYSA-N |
| Mol Weight | 271.23 g/mol |
| Molecular Formula | C14H9NO5 |
| Exact Mass | 271.048072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YUQJlYAWxt |
|---|---|
| Name | Benzoic acid, 4-formyl-, 4-nitrophenyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.048072389 u |
| Formula | C14H9NO5 |
| InChI | InChI=1S/C14H9NO5/c16-9-10-1-3-11(4-2-10)14(17)20-13-7-5-12(6-8-13)15(18)19/h1-9H |
| InChIKey | DRPWQWRXUPSARG-UHFFFAOYSA-N |
| Molecular Weight | 271.228 g/mol |
| SMILES | C(OC1=CC=C(N(=O)=O)C=C1)(=O)C1=CC=C(C=O)C=C1 |