| SpectraBase Compound ID | sc5DkUhI5n |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-9-6-5-7-10(14-9)8-11(13)12(2,3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | MJJIXHQWUWAZAV-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xYNnxuoAT6 |
|---|---|
| Name | 3,3-Dimethyl-1-(6-methyl-tetrahydropyran-2-yl)-butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-9-6-5-7-10(14-9)8-11(13)12(2,3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | MJJIXHQWUWAZAV-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(C(CC1OC(C)CCC1)=O)(C)C |