| SpectraBase Compound ID | PtX5vmIXKt |
|---|---|
| InChI | InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h8,14H,5-7,9-11H2,1-4H3 |
| InChIKey | FWMYBLJEKIBWBB-UHFFFAOYSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Fikfl9UfgX |
|---|---|
| Name | 3-Hexanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h8,14H,5-7,9-11H2,1-4H3 |
| InChIKey | FWMYBLJEKIBWBB-UHFFFAOYSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | C1(C(=CCCC1(C)C)C)CCC(=O)CCC |