| SpectraBase Compound ID | GHDhw30Kyf0 |
|---|---|
| InChI | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | VLKIRFAISMBUCB-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6AopN1kvVab |
|---|---|
| Name | 1-Propanone, 2-methyl-1-(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | VLKIRFAISMBUCB-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | CC1=CC=C(C(C(C)C)=O)C=C1 |