| SpectraBase Compound ID | Alw9xnyJUdI |
|---|---|
| InChI | InChI=1S/C15H13NO5/c1-20-14-9-11(7-8-13(14)16(18)19)10-21-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChIKey | BQFZSJMXRGHNMU-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 | FH7oRU3iK4I |
|---|---|
| Name | Benzoic acid, (3-methoxy-4-nitrophenyl)methyl 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/c1-20-14-9-11(7-8-13(14)16(18)19)10-21-15(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChIKey | BQFZSJMXRGHNMU-UHFFFAOYSA-N |
| SMILES | COC1=C(C=CC(COC(C2=CC=CC=C2)=O)=C1)N(=O)=O |