| SpectraBase Compound ID | IUjr0pezyra |
|---|---|
| InChI | InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h6,8,12,14H,5,7,9-11H2,1-4H3/t12-,14+/m1/s1 |
| InChIKey | FYWYEPJMUFQYGK-OCCSQVGLSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2VS2eiuui8C |
|---|---|
| Name | 3-Hexanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h6,8,12,14H,5,7,9-11H2,1-4H3/t12-,14+/m1/s1 |
| InChIKey | FYWYEPJMUFQYGK-OCCSQVGLSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | [C@@]1(C(CC=C[C@]1(C)[H])(C)C)(CCC(=O)CCC)[H] |