| SpectraBase Compound ID | 6kVFYGa6RxO |
|---|---|
| InChI | InChI=1S/C17H15NO5/c1-22-16-10-6-13(11-17(16)23-2)15(19)9-5-12-3-7-14(8-4-12)18(20)21/h3-11H,1-2H3/b9-5+ |
| InChIKey | HASYJTSNJVEZJN-WEVVVXLNSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C17H15NO5 |
| Exact Mass | 313.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lr3IMD7XpjK |
|---|---|
| Name | (E)-1-(3,4-Dimethoxyphenyl)-3-(4-nitrophenyl)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.095022582 u |
| Formula | C17H15NO5 |
| InChI | InChI=1S/C17H15NO5/c1-22-16-10-6-13(11-17(16)23-2)15(19)9-5-12-3-7-14(8-4-12)18(20)21/h3-11H,1-2H3/b9-5+ |
| InChIKey | HASYJTSNJVEZJN-WEVVVXLNSA-N |
| Molecular Weight | 313.309 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(\C=C\C(C=2C=C(OC)C(=CC2)OC)=O)C=C1 |