| SpectraBase Compound ID | BQ8rOAgFiIm |
|---|---|
| InChI | InChI=1S/C16H15NO4/c1-2-15(12-6-4-3-5-7-12)16(18)21-14-10-8-13(9-11-14)17(19)20/h3-11,15H,2H2,1H3 |
| InChIKey | COAYZKDYHOUBLT-UHFFFAOYSA-N |
| Mol Weight | 285.3 g/mol |
| Molecular Formula | C16H15NO4 |
| Exact Mass | 285.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItPWqkr1pNl |
|---|---|
| Name | Butyric acid, 2-phenyl-, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.100107963 u |
| Formula | C16H15NO4 |
| InChI | InChI=1S/C16H15NO4/c1-2-15(12-6-4-3-5-7-12)16(18)21-14-10-8-13(9-11-14)17(19)20/h3-11,15H,2H2,1H3 |
| InChIKey | COAYZKDYHOUBLT-UHFFFAOYSA-N |
| SMILES | C(C(C(OC1=CC=C(C=C1)N(=O)=O)=O)C1=CC=CC=C1)C |