| SpectraBase Compound ID | 37milmQ30gE |
|---|---|
| InChI | InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7H,6H2,1-4H3/b8-5+ |
| InChIKey | BQAZYKYBFAMHPG-VMPITWQZSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 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 | 59iuiduNn36 |
|---|---|
| Name | 2-Hexene, 3,5-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h5,7H,6H2,1-4H3/b8-5+ |
| InChIKey | BQAZYKYBFAMHPG-VMPITWQZSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | C\C(=C/C)CC(C)C |