| SpectraBase Compound ID | 2XIZuPIe7Lz |
|---|---|
| InChI | InChI=1S/C8H14/c1-5-8(4)6-7(2)3/h5-6H,1-4H3/b8-5+ |
| InChIKey | KETIPZIBBSVDPW-VMPITWQZSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbOmTx5Vkhy |
|---|---|
| Name | (4E)-2,4-Dimethylhexa-2,4-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.109550451 u |
| Formula | C8H14 |
| InChI | InChI=1S/C8H14/c1-5-8(4)6-7(2)3/h5-6H,1-4H3/b8-5+ |
| InChIKey | KETIPZIBBSVDPW-VMPITWQZSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C(\C(=C\C)C)=C(C)C |