| SpectraBase Compound ID | 5zsQlPlFPSQ |
|---|---|
| InChI | InChI=1S/C14H9NO5/c16-13(9-1-3-11(4-2-9)14(17)18)10-5-7-12(8-6-10)15(19)20/h1-8H,(H,17,18) |
| InChIKey | FGGHZEMNYJKTDV-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 | 2ygPviiyXYB |
|---|---|
| Name | 4-(4-Nitrobenzoyl)benzoic acid |
| 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/c16-13(9-1-3-11(4-2-9)14(17)18)10-5-7-12(8-6-10)15(19)20/h1-8H,(H,17,18) |
| InChIKey | FGGHZEMNYJKTDV-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C(C=2C=CC(C(=O)O)=CC2)=O)C=C1 |