| SpectraBase Compound ID | 20nHjICMSUh |
|---|---|
| InChI | InChI=1S/C26H54/c1-4-7-10-12-14-16-18-20-22-25-26(23-9-6-3)24-21-19-17-15-13-11-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | HEUYLTACOIADBB-UHFFFAOYSA-N |
| Mol Weight | 366.7 g/mol |
| Molecular Formula | C26H54 |
| Exact Mass | 366.422552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrRMPgp9vtp |
|---|---|
| Name | Docosane, 11-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.422551739 u |
| Formula | C26H54 |
| InChI | InChI=1S/C26H54/c1-4-7-10-12-14-16-18-20-22-25-26(23-9-6-3)24-21-19-17-15-13-11-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | HEUYLTACOIADBB-UHFFFAOYSA-N |
| Molecular Weight | 366.718 g/mol |
| SMILES | C(C(CCCCCCCCCC)CCCC)CCCCCCCCCC |