| SpectraBase Compound ID | 922Re2Cepqf |
|---|---|
| InChI | InChI=1S/C19H13NO5/c21-19(25-16-9-5-2-6-10-16)14-11-12-18(17(13-14)20(22)23)24-15-7-3-1-4-8-15/h1-13H |
| InChIKey | YTHHEBQFBWYKDW-UHFFFAOYSA-N |
| Mol Weight | 335.32 g/mol |
| Molecular Formula | C19H13NO5 |
| Exact Mass | 335.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62IwcYFNfRN |
|---|---|
| Name | Benzoic acid, 3-nitro-4-phenoxy-, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.079372518 u |
| Formula | C19H13NO5 |
| InChI | InChI=1S/C19H13NO5/c21-19(25-16-9-5-2-6-10-16)14-11-12-18(17(13-14)20(22)23)24-15-7-3-1-4-8-15/h1-13H |
| InChIKey | YTHHEBQFBWYKDW-UHFFFAOYSA-N |
| Molecular Weight | 335.315 g/mol |
| SMILES | C(=O)(OC1=CC=CC=C1)C1=CC=C(C(=C1)N(=O)=O)OC1=CC=CC=C1 |