| SpectraBase Compound ID | JHXW1keRR47 |
|---|---|
| InChI | InChI=1S/C8H14/c1-4-7-8(5-2)6-3/h4-5,8H,1-2,6-7H2,3H3 |
| InChIKey | GAMCSPXBVVTNSF-UHFFFAOYSA-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 | 2CS17fICVQr |
|---|---|
| Name | 3-Ethylhexa-1,5-diene |
| 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/c1-4-7-8(5-2)6-3/h4-5,8H,1-2,6-7H2,3H3 |
| InChIKey | GAMCSPXBVVTNSF-UHFFFAOYSA-N |
| Molecular Weight | 110.200 g/mol |
| SMILES | C=CC(CC=C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938271 |