![1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl-](/api/spectrum/B1bPIWAwEaJ/structure.png?h=300&w=458 "1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl-")
| SpectraBase Compound ID | CIppO6YX0LG |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3 |
| InChIKey | LALVCWMSKLEQMK-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 | B1bPIWAwEaJ |
|---|---|
| Name | 1,3-Propanedione, 1-[4-(1-methylethyl)phenyl]-3-phenyl- |
| 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/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3 |
| InChIKey | LALVCWMSKLEQMK-UHFFFAOYSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C(=O)(CC(=O)C1=CC=CC=C1)C1=CC=C(C=C1)C(C)C |