![2-Pentanone, 4-methyl-4-[4-(1-methylethyl)cyclohexyl]-, cis-](/api/spectrum/PiGTMHJ567/structure.png?h=300&w=458 "2-Pentanone, 4-methyl-4-[4-(1-methylethyl)cyclohexyl]-, cis-")
| SpectraBase Compound ID | 6240bMsjUXo |
|---|---|
| InChI | InChI=1S/C15H28O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h11,13-14H,6-10H2,1-5H3/t13-,14+ |
| InChIKey | RLPJJOKZQQYRCM-OKILXGFUSA-N |
| Mol Weight | 224.39 g/mol |
| Molecular Formula | C15H28O |
| Exact Mass | 224.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PiGTMHJ567 |
|---|---|
| Name | 2-Pentanone, 4-methyl-4-[4-(1-methylethyl)cyclohexyl]-, cis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.214015521 u |
| Formula | C15H28O |
| InChI | InChI=1S/C15H28O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h11,13-14H,6-10H2,1-5H3/t13-,14+ |
| InChIKey | RLPJJOKZQQYRCM-OKILXGFUSA-N |
| Molecular Weight | 224.388 g/mol |
| SMILES | C(CC(=O)C)([C@]1(CC[C@](CC1)(C(C)C)[H])[H])(C)C |