| SpectraBase Compound ID | 250TPMIWeC |
|---|---|
| InChI | InChI=1S/C16H13NO3/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)17(19)20/h2-11H,1H3 |
| InChIKey | HIZKXJSFBMISQL-UHFFFAOYSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETal4cGuUVV |
|---|---|
| Name | 4-(p-Nitrophenyl)-3-phenyl-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.089543280 u |
| Formula | C16H13NO3 |
| InChI | InChI=1S/C16H13NO3/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)17(19)20/h2-11H,1H3 |
| InChIKey | HIZKXJSFBMISQL-UHFFFAOYSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C=C(C=1C=CC=CC1)C(C)=O |