| SpectraBase Compound ID | 52AUrsFolz3 |
|---|---|
| InChI | InChI=1S/C16H22O/c1-13(2)8-7-9-14(3)12-16(17)15-10-5-4-6-11-15/h4-6,8,10-11,14H,7,9,12H2,1-3H3 |
| InChIKey | VSUOKGGMVWKGJS-UHFFFAOYSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C16H22O |
| Exact Mass | 230.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gQbBgSoYle |
|---|---|
| Name | 6-Octen-1-one, 3,7-dimethyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.167065327 u |
| Formula | C16H22O |
| InChI | InChI=1S/C16H22O/c1-13(2)8-7-9-14(3)12-16(17)15-10-5-4-6-11-15/h4-6,8,10-11,14H,7,9,12H2,1-3H3 |
| InChIKey | VSUOKGGMVWKGJS-UHFFFAOYSA-N |
| Molecular Weight | 230.351 g/mol |
| SMILES | C(CC(CCC=C(C)C)C)(=O)C1=CC=CC=C1 |