| SpectraBase Compound ID | HzGVAMjEJiQ |
|---|---|
| InChI | InChI=1S/C20H42/c1-4-7-10-11-12-13-14-15-16-19-20(17-8-5-2)18-9-6-3/h20H,4-19H2,1-3H3 |
| InChIKey | WCYRXBXHFUHSAH-UHFFFAOYSA-N |
| Mol Weight | 282.6 g/mol |
| Molecular Formula | C20H42 |
| Exact Mass | 282.328651 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4SyqGDSXrQV |
|---|---|
| Name | Hexadecane, 5-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.328651352 u |
| Formula | C20H42 |
| InChI | InChI=1S/C20H42/c1-4-7-10-11-12-13-14-15-16-19-20(17-8-5-2)18-9-6-3/h20H,4-19H2,1-3H3 |
| InChIKey | WCYRXBXHFUHSAH-UHFFFAOYSA-N |
| SMILES | C(C(CCCC)CCCC)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823367 |