| SpectraBase Compound ID | JJmlB7A61Q8 |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-23(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-22-26-25(3,4)27-24/h23-24H,5-22H2,1-4H3 |
| InChIKey | DVCFSPZTYKATQH-UHFFFAOYSA-N |
| Mol Weight | 382.7 g/mol |
| Molecular Formula | C25H50O2 |
| Exact Mass | 382.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2a7nBjq9xgF |
|---|---|
| Name | 20-Methyl-heneicosane-1,2-diol, isopropylidene derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.381080848 u |
| Formula | C25H50O2 |
| InChI | InChI=1S/C25H50O2/c1-23(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-22-26-25(3,4)27-24/h23-24H,5-22H2,1-4H3 |
| InChIKey | DVCFSPZTYKATQH-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | CC(CCCCCCCCCCCCCCCCCC1COC(O1)(C)C)C |