| SpectraBase Compound ID | GavWmO06ZPo |
|---|---|
| InChI | InChI=1S/C28H58/c1-4-7-10-13-14-15-16-17-18-19-20-21-24-27-28(25-22-11-8-5-2)26-23-12-9-6-3/h28H,4-27H2,1-3H3 |
| InChIKey | SDYSFWMEHHOBQG-UHFFFAOYSA-N |
| Mol Weight | 394.8 g/mol |
| Molecular Formula | C28H58 |
| Exact Mass | 394.453852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtYSunCSNo0 |
|---|---|
| Name | Docosane, 7-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.453851868 u |
| Formula | C28H58 |
| InChI | InChI=1S/C28H58/c1-4-7-10-13-14-15-16-17-18-19-20-21-24-27-28(25-22-11-8-5-2)26-23-12-9-6-3/h28H,4-27H2,1-3H3 |
| InChIKey | SDYSFWMEHHOBQG-UHFFFAOYSA-N |
| Molecular Weight | 394.772 g/mol |
| SMILES | C(C(CCCCCC)CCCCCC)CCCCCCCCCCCCCC |