| SpectraBase Compound ID | DWHn7wpPlr1 |
|---|---|
| InChI | InChI=1S/C16H13NO6/c1-22-15-5-3-2-4-13(15)16(19)23-10-14(18)11-6-8-12(9-7-11)17(20)21/h2-9H,10H2,1H3 |
| InChIKey | UFICAKQOIWBEHB-UHFFFAOYSA-N |
| Mol Weight | 315.28 g/mol |
| Molecular Formula | C16H13NO6 |
| Exact Mass | 315.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TqVldv69hs |
|---|---|
| Name | 2-Methoxy-benzoic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.074287137 u |
| Formula | C16H13NO6 |
| InChI | InChI=1S/C16H13NO6/c1-22-15-5-3-2-4-13(15)16(19)23-10-14(18)11-6-8-12(9-7-11)17(20)21/h2-9H,10H2,1H3 |
| InChIKey | UFICAKQOIWBEHB-UHFFFAOYSA-N |
| Molecular Weight | 315.281 g/mol |
| SMILES | C1=CC=C(C(OCC(C=2C=CC(N(=O)=O)=CC2)=O)=O)C(=C1)OC |