| SpectraBase Compound ID | IUOkc94KIge |
|---|---|
| InChI | InChI=1S/C12H22/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,3-5,7-8,10-11H2,1-2H3 |
| InChIKey | FQAQTJQOQXQKJZ-UHFFFAOYSA-N |
| Mol Weight | 166.31 g/mol |
| Molecular Formula | C12H22 |
| Exact Mass | 166.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GuPakrDIyQe |
|---|---|
| Name | 4-Butylocta-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.172150708 u |
| Formula | C12H22 |
| InChI | InChI=1S/C12H22/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,3-5,7-8,10-11H2,1-2H3 |
| InChIKey | FQAQTJQOQXQKJZ-UHFFFAOYSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C(=CC=C)(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951552 |