| SpectraBase Compound ID | 9CgvHAEDhze |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3 |
| InChIKey | GMQOUSHYFLWQNH-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AThNjgYbmbj |
|---|---|
| Name | 1-(p-Methylphenyl)-4-phenylbutane-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3 |
| InChIKey | GMQOUSHYFLWQNH-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(CCC(=O)C=1C=CC=CC1)=O |