| SpectraBase Compound ID | IQEYbrZI3EF |
|---|---|
| InChI | InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | KNCMKWVOMRUHKZ-AATRIKPKSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9uKz6nNJ9xz |
|---|---|
| Name | Trans-2,5-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/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | KNCMKWVOMRUHKZ-AATRIKPKSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | CC(\C=C\C(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.980663 |