| SpectraBase Compound ID | CnFae2ho6zx |
|---|---|
| InChI | InChI=1S/C12H24/c1-4-7-10-12(9-6-3)11-8-5-2/h9H,4-8,10-11H2,1-3H3 |
| InChIKey | YMNVRILTJWEHTL-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | sSunf7aoWp |
|---|---|
| Name | 4-Butyl-3-octene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-4-7-10-12(9-6-3)11-8-5-2/h9H,4-8,10-11H2,1-3H3 |
| InChIKey | YMNVRILTJWEHTL-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | CCC=C(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954801 |