| SpectraBase Compound ID | 1lZMczc0XuE |
|---|---|
| InChI | InChI=1S/C12H24/c1-3-4-5-8-12-9-6-7-11(2)10-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | QKGGSUPOLTUZMI-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 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 | 8mV7BB93boc |
|---|---|
| Name | Cyclohexane, 1-methyl-3-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-3-4-5-8-12-9-6-7-11(2)10-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | QKGGSUPOLTUZMI-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C(CC1CC(C)CCC1)CCC |