| SpectraBase Compound ID | GUaQDJtkrsq |
|---|---|
| InChI | InChI=1S/C20H17NO2/c22-19(15-8-3-1-4-9-15)14-17(18-12-7-13-21-18)20(23)16-10-5-2-6-11-16/h1-13,17,21H,14H2 |
| InChIKey | TXYIOYMFAVNTAP-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C20H17NO2 |
| Exact Mass | 303.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETNQLPwlg4 |
|---|---|
| Name | 1,4-Diphenyl-2-(1H-pyrrol-2-yl)butane-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.125928789 u |
| Formula | C20H17NO2 |
| InChI | InChI=1S/C20H17NO2/c22-19(15-8-3-1-4-9-15)14-17(18-12-7-13-21-18)20(23)16-10-5-2-6-11-16/h1-13,17,21H,14H2 |
| InChIKey | TXYIOYMFAVNTAP-UHFFFAOYSA-N |
| SMILES | C(C(CC(=O)C=1C=CC=CC1)C=1NC=CC1)(=O)C=1C=CC=CC1 |