| SpectraBase Compound ID | H3dcwQtEqRG |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3 |
| InChIKey | DOLFMVAJDYALTI-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17cfmwTqihV |
|---|---|
| Name | 4-(2,6,6-Trimethyl-3-oxidanyl-cyclohexen-1-yl)butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h12,15H,5-8H2,1-4H3 |
| InChIKey | DOLFMVAJDYALTI-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C1(=C(C(O)CCC1(C)C)C)CCC(=O)C |