| SpectraBase Compound ID | FcNmAWM7eBs |
|---|---|
| InChI | InChI=1S/C14H11NO5/c1-19-12-7-5-10(6-8-12)14(16)20-13-4-2-3-11(9-13)15(17)18/h2-9H,1H3 |
| InChIKey | WMGQBRIWSBQBMW-UHFFFAOYSA-N |
| Mol Weight | 273.24 g/mol |
| Molecular Formula | C14H11NO5 |
| Exact Mass | 273.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J84EHfGq7fQ |
|---|---|
| Name | 4-Methoxybenzoic acid (3-nitrophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.063722453 u |
| Formula | C14H11NO5 |
| InChI | InChI=1S/C14H11NO5/c1-19-12-7-5-10(6-8-12)14(16)20-13-4-2-3-11(9-13)15(17)18/h2-9H,1H3 |
| InChIKey | WMGQBRIWSBQBMW-UHFFFAOYSA-N |
| Molecular Weight | 273.244 g/mol |
| SMILES | C1(N(=O)=O)=CC(OC(C=2C=CC(=CC2)OC)=O)=CC=C1 |