| SpectraBase Compound ID | BxAGBEYfWLe |
|---|---|
| InChI | InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3 |
| InChIKey | BKUAQOCVPRDREL-UHFFFAOYSA-N |
| Mol Weight | 358.6 g/mol |
| Molecular Formula | C24H38O2 |
| Exact Mass | 358.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JtTd9AbAqJ |
|---|---|
| Name | 1,3-Octadecanedione, 1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.287180462 u |
| Formula | C24H38O2 |
| InChI | InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3 |
| InChIKey | BKUAQOCVPRDREL-UHFFFAOYSA-N |
| Molecular Weight | 358.566 g/mol |
| SMILES | C(CC(CCCCCCCCCCCCCCC)=O)(=O)C1=CC=CC=C1 |