| SpectraBase Compound ID | IpeLRBdEn0m |
|---|---|
| InChI | InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | OREPYGSHKSWUCK-UHFFFAOYSA-N |
| Mol Weight | 240.5 g/mol |
| Molecular Formula | C17H36 |
| Exact Mass | 240.281701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6qRp5XDdD3E |
|---|---|
| Name | Hexadecane, 4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.281701159 u |
| Formula | C17H36 |
| InChI | InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | OREPYGSHKSWUCK-UHFFFAOYSA-N |
| Molecular Weight | 240.475 g/mol |
| SMILES | CCCC(CCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86021 |