| SpectraBase Compound ID | EXnCq7LEquB |
|---|---|
| InChI | InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+ |
| InChIKey | QGDVKFLWAVKNAA-AATRIKPKSA-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 | 3kkjCB5SqYp |
|---|---|
| Name | 1,4-Hexadiene, 2,3-dimethyl- |
| 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/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+ |
| InChIKey | QGDVKFLWAVKNAA-AATRIKPKSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C(\C=C\C)(C(C)=C)C |