| SpectraBase Compound ID | 4wIdjR3NIen |
|---|---|
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3 |
| InChIKey | SLQMKNPIYMOEGB-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EHNI5XT0ELS |
|---|---|
| Name | 2-Methyl-1,5-hexadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3 |
| InChIKey | SLQMKNPIYMOEGB-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C(C=C)CC(=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.951398 |