| SpectraBase Compound ID | BtxGArNvize |
|---|---|
| InChI | InChI=1S/C23H20O2/c24-22(20-14-8-3-9-15-20)17-21(19-12-6-2-7-13-19)23(25)16-18-10-4-1-5-11-18/h1-15,21H,16-17H2 |
| InChIKey | KLLFAVZGDSAJAX-UHFFFAOYSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C23H20O2 |
| Exact Mass | 328.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23O25IFk9XH |
|---|---|
| Name | 1,3,6-Triphenylpenta-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.146329882 u |
| Formula | C23H20O2 |
| InChI | InChI=1S/C23H20O2/c24-22(20-14-8-3-9-15-20)17-21(19-12-6-2-7-13-19)23(25)16-18-10-4-1-5-11-18/h1-15,21H,16-17H2 |
| InChIKey | KLLFAVZGDSAJAX-UHFFFAOYSA-N |
| Molecular Weight | 328.411 g/mol |
| SMILES | C(C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1)(CC1=CC=CC=C1)=O |