| SpectraBase Compound ID | 3SiIpVOIobI |
|---|---|
| InChI | InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,7-8H,1,4-6H2,2H3/b8-7+ |
| InChIKey | HYBLFDUGSBOMPI-BQYQJAHWSA-N |
| Mol Weight | 110.2 g/mol |
| Molecular Formula | C8H14 |
| Exact Mass | 110.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DlgiHJc45iJ |
|---|---|
| Name | 1,4-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/h3,7-8H,1,4-6H2,2H3/b8-7+ |
| InChIKey | HYBLFDUGSBOMPI-BQYQJAHWSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | CCC\C=C\CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874684 |