| SpectraBase Compound ID | 1IlPITB9usE |
|---|---|
| InChI | InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+ |
| InChIKey | LAGGTOBQMQHXON-GGWOSOGESA-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 | 9OHb0xeZ7DN |
|---|---|
| Name | 2,6-Trans,trans-octadiene |
| 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/c1-3-5-7-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+ |
| InChIKey | LAGGTOBQMQHXON-GGWOSOGESA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C\C=C\CC\C=C\C |
| Spectrum/Structure Validation Score (Raman) | 0.915747 |