![(1S,4S,5R)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]decanone](/api/spectrum/X6MVPhSOp1/structure.png?h=300&w=458 "(1S,4S,5R)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]decanone")
| SpectraBase Compound ID | KHEIZdQx0iQ |
|---|---|
| InChI | InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3/t11?,12-,13-,15+/m0/s1 |
| InChIKey | HGEHVVBKUMPQRX-ZBVJJQAHSA-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 | X6MVPhSOp1 |
|---|---|
| Name | (1S,4S,5R)-1,8-Dimethyl-4-propan-2-yl-9-spiro[4.5]decanone |
| 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/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3/t11?,12-,13-,15+/m0/s1 |
| InChIKey | HGEHVVBKUMPQRX-ZBVJJQAHSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | [C@@]12(CC(=O)C(CC2)C)[C@@](CC[C@@]1(C)[H])(C(C)C)[H] |