| SpectraBase Compound ID | 4PP7uOnoqn5 |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h4-9,11H,10H2,1-3H3/b7-4+ |
| InChIKey | HISPXTCMDDBNTK-QPJJXVBHSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bkmbhx6NVJw |
|---|---|
| Name | hex-1-en-3-one, 1-(4-Methoxyphenyl)-6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h4-9,11H,10H2,1-3H3/b7-4+ |
| InChIKey | HISPXTCMDDBNTK-QPJJXVBHSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1(\C=C\C(=O)CC(C)C)=CC=C(C=C1)OC |