| SpectraBase Compound ID | 3XegrT5p625 |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-4-5-10(2)13(14)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey | DZVCETVBUGQDDB-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HpKK8Q4CQzR |
|---|---|
| Name | 1-(4-Methoxyphenyl)-2-methylpentan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-4-5-10(2)13(14)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3 |
| InChIKey | DZVCETVBUGQDDB-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C(CCC)C)(=O)C=1C=CC(=CC1)OC |