| SpectraBase Compound ID | K4j4lUUsWVJ |
|---|---|
| InChI | InChI=1S/C16H22O/c1-12(2)14(11-15(17)16(3,4)5)13-9-7-6-8-10-13/h6-10,14H,1,11H2,2-5H3 |
| InChIKey | QFJBYXBDGSYHDA-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 | CKdhyp7pB2O |
|---|---|
| Name | 2,2,6-Trimethyl-5-phenyl-6-hepten-3-one |
| 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/c1-12(2)14(11-15(17)16(3,4)5)13-9-7-6-8-10-13/h6-10,14H,1,11H2,2-5H3 |
| InChIKey | QFJBYXBDGSYHDA-UHFFFAOYSA-N |
| Molecular Weight | 230.351 g/mol |
| SMILES | C(C(C(=C)C)C1=CC=CC=C1)C(C(C)(C)C)=O |