| SpectraBase Compound ID | 1qYeYl9diIg |
|---|---|
| InChI | InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | PUUCZCJOATUHNE-UHFFFAOYSA-N |
| Mol Weight | 182.35 g/mol |
| Molecular Formula | C13H26 |
| Exact Mass | 182.203451 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 | 9IS8dUoHSwA |
|---|---|
| Name | Cyclohexane, 2-butyl-1,1,3-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.203450837 u |
| Formula | C13H26 |
| InChI | InChI=1S/C13H26/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | PUUCZCJOATUHNE-UHFFFAOYSA-N |
| Molecular Weight | 182.351 g/mol |
| SMILES | C(CCC)C1C(C)(C)CCCC1C |