| SpectraBase Compound ID | BuQT8GE0v25 |
|---|---|
| InChI | InChI=1S/C14H28O/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1 |
| InChIKey | MYSJOKXZNQNFMP-JHJVBQTASA-N |
| Mol Weight | 212.38 g/mol |
| Molecular Formula | C14H28O |
| Exact Mass | 212.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNK5ZKIXfB2 |
|---|---|
| Name | (4R,6R,8R)-Trimethylundecan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.214015521 u |
| Formula | C14H28O |
| InChI | InChI=1S/C14H28O/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15/h11-13H,6-10H2,1-5H3/t11-,12-,13-/m1/s1 |
| InChIKey | MYSJOKXZNQNFMP-JHJVBQTASA-N |
| Molecular Weight | 212.377 g/mol |
| SMILES | CCC[C@](C[C@](C[C@](CC(C)=O)(C)[H])(C)[H])(C)[H] |