| SpectraBase Compound ID | 6ay6C728tVF |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-14(19)17(13-12-15-8-4-2-5-9-15)18(20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3 |
| InChIKey | XSGIPLMWXMVWBF-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 | 76kqBrlnzA0 |
|---|---|
| Name | 1-Phenyl-2-phenylethyl-1,3-butanedione |
| 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)17(13-12-15-8-4-2-5-9-15)18(20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3 |
| InChIKey | XSGIPLMWXMVWBF-UHFFFAOYSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)(CCC=1C=CC=CC1)C(=O)C |