| SpectraBase Compound ID | HFwo3xBFcyQ |
|---|---|
| InChI | InChI=1S/C21H18N2O2/c24-20(18-10-4-6-12-22-18)14-17(16-8-2-1-3-9-16)15-21(25)19-11-5-7-13-23-19/h1-13,17H,14-15H2 |
| InChIKey | PHICUFDPDALJBI-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C21H18N2O2 |
| Exact Mass | 330.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvnFXkhQdaa |
|---|---|
| Name | 1,5-Pentanedione, 3-phenyl-1,5-di(2-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.136827826 u |
| Formula | C21H18N2O2 |
| InChI | InChI=1S/C21H18N2O2/c24-20(18-10-4-6-12-22-18)14-17(16-8-2-1-3-9-16)15-21(25)19-11-5-7-13-23-19/h1-13,17H,14-15H2 |
| InChIKey | PHICUFDPDALJBI-UHFFFAOYSA-N |
| Molecular Weight | 330.387 g/mol |
| SMILES | C(CC(CC(C1=NC=CC=C1)=O)C=1C=CC=CC1)(C1=NC=CC=C1)=O |