| SpectraBase Compound ID | Alxv4BvuNRB |
|---|---|
| InChI | InChI=1S/C13H9NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h1-8,15H |
| InChIKey | HPLIZEAPBBGBKQ-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C13H9NO5 |
| Exact Mass | 259.048072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiBcvpf2FwW |
|---|---|
| Name | 1,2-Benzenediol, o-(4-nitrobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.048072389 u |
| Formula | C13H9NO5 |
| InChI | InChI=1S/C13H9NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h1-8,15H |
| InChIKey | HPLIZEAPBBGBKQ-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)N(=O)=O)O |