| SpectraBase Compound ID | AcTnEuDqOOf |
|---|---|
| InChI | InChI=1S/C15H13NO5/c1-20-13-6-8-14(9-7-13)21-15(17)10-11-2-4-12(5-3-11)16(18)19/h2-9H,10H2,1H3 |
| InChIKey | BFDSIZRMXVNGOT-UHFFFAOYSA-N |
| Mol Weight | 287.27 g/mol |
| Molecular Formula | C15H13NO5 |
| Exact Mass | 287.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FaU7nZexe3b |
|---|---|
| Name | Benzeneacetic acid, 4-nitro-, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.079372518 u |
| Formula | C15H13NO5 |
| InChI | InChI=1S/C15H13NO5/c1-20-13-6-8-14(9-7-13)21-15(17)10-11-2-4-12(5-3-11)16(18)19/h2-9H,10H2,1H3 |
| InChIKey | BFDSIZRMXVNGOT-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=CC(CC(OC=2C=CC(=CC2)OC)=O)=CC1 |