| SpectraBase Compound ID | ETQgHEgfa2f |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-5-6-7-8(2)3/h4-5H,2,6-7H2,1,3H3 |
| InChIKey | LXKRFDPUBWVICN-UHFFFAOYSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GuiLH8rDxkB |
|---|---|
| Name | 2-Methyl-1,5-heptadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.109550451 u |
| Formula | C8H14 |
| InChI | InChI=1S/C8H14/c1-4-5-6-7-8(2)3/h4-5H,2,6-7H2,1,3H3 |
| InChIKey | LXKRFDPUBWVICN-UHFFFAOYSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | CC=CCCC(=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.968804 |