| SpectraBase Compound ID | 8oFwhqNLVmM |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-9(10(2)13)5-6-12(4,14)11(3)7-8-11/h9,14H,5-8H2,1-4H3 |
| InChIKey | RVIPQQHYHHHREC-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 | 3DDB7se6OuI |
|---|---|
| Name | 3-Methyl-6-(1-methylcyclopropyl)-6-oxidanyl-heptan-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(10(2)13)5-6-12(4,14)11(3)7-8-11/h9,14H,5-8H2,1-4H3 |
| InChIKey | RVIPQQHYHHHREC-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(C(CCC(C)(C1(CC1)C)O)C)=O |