![3-Methyl-5-[(E/Z)-2',6',6'-trimethylcyclohex-2'-enylidene]pent-3-en-2-one](/api/spectrum/9ipcQmZ0IJS/structure.png?h=300&w=458 "3-Methyl-5-[(E/Z)-2',6',6'-trimethylcyclohex-2'-enylidene]pent-3-en-2-one")
| SpectraBase Compound ID | 738n3dQk4Js |
|---|---|
| InChI | InChI=1S/C15H22O/c1-11(13(3)16)8-9-14-12(2)7-6-10-15(14,4)5/h7-9H,6,10H2,1-5H3/b11-8-,14-9+ |
| InChIKey | YJUAXGAWNXOZOV-VRHZNZDDSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ipcQmZ0IJS |
|---|---|
| Name | 3-Methyl-5-[(E/Z)-2',6',6'-trimethylcyclohex-2'-enylidene]pent-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-11(13(3)16)8-9-14-12(2)7-6-10-15(14,4)5/h7-9H,6,10H2,1-5H3/b11-8-,14-9+ |
| InChIKey | YJUAXGAWNXOZOV-VRHZNZDDSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C(\C(=C/C=C\1C(=CCCC1(C)C)C)C)(=O)C |