| SpectraBase Compound ID | BVuzBPHrndm |
|---|---|
| InChI | InChI=1S/C11H20O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | UDBHAWYOTMVZEE-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2atEat4mal7 |
|---|---|
| Name | 2-Tert-butyl-5-methylcyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | UDBHAWYOTMVZEE-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C1(C(CCC(C1)C)C(C)(C)C)=O |