| SpectraBase Compound ID | 5FYobJZJMb2 |
|---|---|
| InChI | InChI=1S/C13H18O/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3 |
| InChIKey | LCOOJQDLEJBDTO-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILdvl5VI6kb |
|---|---|
| Name | 5-Methyl-4-phenyl-2-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-10(2)13(9-11(3)14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3 |
| InChIKey | LCOOJQDLEJBDTO-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(CC(=O)C)(C1=CC=CC=C1)C(C)C |