![(S)-Methyl 5',5'-dimethyl-[1,1'-bi(cyclohexane)]-1',3-diene-4-carboxylate](/api/spectrum/7uZok9fb7kt/structure.png?h=300&w=458 "(S)-Methyl 5',5'-dimethyl-[1,1'-bi(cyclohexane)]-1',3-diene-4-carboxylate")
| SpectraBase Compound ID | 9GUJsrj8lB0 |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-16(2)10-4-5-14(11-16)12-6-8-13(9-7-12)15(17)18-3/h5,8,12H,4,6-7,9-11H2,1-3H3 |
| InChIKey | BKHZWNMBDXJJSG-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 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 | 7uZok9fb7kt |
|---|---|
| Name | (S)-Methyl 5',5'-dimethyl-[1,1'-bi(cyclohexane)]-1',3-diene-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-16(2)10-4-5-14(11-16)12-6-8-13(9-7-12)15(17)18-3/h5,8,12H,4,6-7,9-11H2,1-3H3 |
| InChIKey | BKHZWNMBDXJJSG-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1CC(CC(=C1)C1CC=C(CC1)C(OC)=O)(C)C |