| SpectraBase Compound ID | AICAV9qypLj |
|---|---|
| InChI | InChI=1S/C16H16O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3 |
| InChIKey | YSLOBNBTHCYFAS-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpKcJJumV0V |
|---|---|
| Name | 1-(4-Methylphenyl)-3-phenyl-1-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3 |
| InChIKey | YSLOBNBTHCYFAS-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C(CCC=1C=CC=CC1)(=O)C=1C=CC(=CC1)C |