| SpectraBase Compound ID | HN3WhSDadLY |
|---|---|
| InChI | InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h5H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey | QEMJIDSLEPYRLM-VMPITWQZSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JigzCqW2Hiy |
|---|---|
| Name | 3-Ethyl-2-hexene |
| 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/c1-4-7-8(5-2)6-3/h5H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey | QEMJIDSLEPYRLM-VMPITWQZSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | CCC\C(CC)=C\C |