| SpectraBase Compound ID | 3d3MVdk7TP9 |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-14(19)7-12-18(20)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11H,7,12-13H2,1H3 |
| InChIKey | QHEDGKYSBOOYLX-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jnja433QIM |
|---|---|
| Name | 1-(4-Phenylphenyl)hexane-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.130679818 u |
| Formula | C18H18O2 |
| InChI | InChI=1S/C18H18O2/c1-14(19)7-12-18(20)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11H,7,12-13H2,1H3 |
| InChIKey | QHEDGKYSBOOYLX-UHFFFAOYSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C(C(CCC(C)=O)=O)C=1C=CC(=CC1)C=1C=CC=CC1 |