| SpectraBase Compound ID | 3p5t3H8YFlj |
|---|---|
| InChI | InChI=1S/C12H22O/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h8-10H,6-7H2,1-5H3/t8-,9-/m1/s1 |
| InChIKey | YNEYSORFAULDSN-RKDXNWHRSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUzbWDkXIE0 |
|---|---|
| Name | C-4-T-Butyl-R-2,T-6-dimethylcyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h8-10H,6-7H2,1-5H3/t8-,9-/m1/s1 |
| InChIKey | YNEYSORFAULDSN-RKDXNWHRSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1([C@@](CC(C[C@]1(C)[H])C(C)(C)C)(C)[H])=O |