| SpectraBase Compound ID | 1V1hUt4Zl8E |
|---|---|
| InChI | InChI=1S/C17H12O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10H,13H2 |
| InChIKey | LZKOTIGIXOGJCW-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C17H12O2 |
| Exact Mass | 248.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANZbJo0qkhi |
|---|---|
| Name | 1,5-Diphenyl-4-pentyne-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.083729624 u |
| Formula | C17H12O2 |
| InChI | InChI=1S/C17H12O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10H,13H2 |
| InChIKey | LZKOTIGIXOGJCW-UHFFFAOYSA-N |
| Molecular Weight | 248.281 g/mol |
| SMILES | C(#CC(CC(=O)C=1C=CC=CC1)=O)C=1C=CC=CC1 |