| SpectraBase Compound ID | 3EJDKrmxtoG |
|---|---|
| InChI | InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6- |
| InChIKey | JPLZSSHKQZJYTJ-SREVYHEPSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HRM30HMWqSl |
|---|---|
| Name | cis-2,2-Dimethyl-3-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6- |
| InChIKey | JPLZSSHKQZJYTJ-SREVYHEPSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | CC(C)(C)\C=C/CC |
| Spectrum/Structure Validation Score (Raman) | 0.957321 |