| SpectraBase Compound ID | BQD1KFI7tEi |
|---|---|
| InChI | InChI=1S/C14H11NO5/c1-19-10-6-8-11(9-7-10)20-14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3 |
| InChIKey | ANFOILLRUCYHDN-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 | HU7g37WNxn7 |
|---|---|
| Name | 2-Nitrobenzoic acid (4-methoxyphenyl) 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/c1-19-10-6-8-11(9-7-10)20-14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3 |
| InChIKey | ANFOILLRUCYHDN-UHFFFAOYSA-N |
| Molecular Weight | 273.244 g/mol |
| SMILES | C=1(N(=O)=O)C(C(OC=2C=CC(=CC2)OC)=O)=CC=CC1 |