![4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]-](/api/spectrum/4hr64ylvWfL/structure.png?h=300&w=458 "4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]-")
| SpectraBase Compound ID | 66zoOkrkXIU |
|---|---|
| InChI | InChI=1S/C15H26O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3 |
| InChIKey | KQKCQDAWNOKFQQ-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 | 4hr64ylvWfL |
|---|---|
| Name | 4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]- |
| 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/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3 |
| InChIKey | KQKCQDAWNOKFQQ-UHFFFAOYSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | C(C(C)C1CCC(=CC1)C)C(CC(C)C)=O |