| SpectraBase Compound ID | 2q3SG08yOaF |
|---|---|
| InChI | InChI=1S/C16H13NO5/c18-15(13-6-8-14(9-7-13)17(20)21)11-22-16(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey | BQSOIGAKYHKAMA-UHFFFAOYSA-N |
| Mol Weight | 299.28 g/mol |
| Molecular Formula | C16H13NO5 |
| Exact Mass | 299.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gt6yqHJC2ts |
|---|---|
| Name | Phenyl-acetic 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 | 299.079372518 u |
| Formula | C16H13NO5 |
| InChI | InChI=1S/C16H13NO5/c18-15(13-6-8-14(9-7-13)17(20)21)11-22-16(19)10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey | BQSOIGAKYHKAMA-UHFFFAOYSA-N |
| Molecular Weight | 299.282 g/mol |
| SMILES | C1=CC=C(C=C1)CC(OCC(C=1C=CC(N(=O)=O)=CC1)=O)=O |