| SpectraBase Compound ID | Ca351z02Lrl |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-9(11(3)15)8-12-10(2)13(16)6-7-14(12,4)5/h8,13,16H,6-7H2,1-5H3/b9-8- |
| InChIKey | HWLKSMXYWGSQEO-HJWRWDBZSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IPm2fvE6MHt |
|---|---|
| Name | (Z)-3-Methyl-4-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)but-3-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-9(11(3)15)8-12-10(2)13(16)6-7-14(12,4)5/h8,13,16H,6-7H2,1-5H3/b9-8- |
| InChIKey | HWLKSMXYWGSQEO-HJWRWDBZSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C1(\C=C/(C(=O)C)C)=C(C(O)CCC1(C)C)C |