| SpectraBase Compound ID | EbeEV5AgMWQ |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8H,9H2,1-4H3 |
| InChIKey | YKPIPMQXBHRVHG-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 | D7eD2bbw4oG |
|---|---|
| Name | 2-Methyl-2-(4'-methoxyphenyl)pentanone-4 |
| 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/c1-10(14)9-13(2,3)11-5-7-12(15-4)8-6-11/h5-8H,9H2,1-4H3 |
| InChIKey | YKPIPMQXBHRVHG-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | CC(C1=CC=C(C=C1)OC)(C)CC(C)=O |