| SpectraBase Compound ID | 9MHxb3kilIi |
|---|---|
| InChI | InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3 |
| InChIKey | JQJGGMZIMBGQQY-UHFFFAOYSA-N |
| Mol Weight | 523.0 g/mol |
| Molecular Formula | C36H74O |
| Exact Mass | 522.573967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SW1EBz3HMZ |
|---|---|
| Name | 1-Eicosanol, 2-hexadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.573967002 u |
| Formula | C36H74O |
| InChI | InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3 |
| InChIKey | JQJGGMZIMBGQQY-UHFFFAOYSA-N |
| Molecular Weight | 522.987 g/mol |
| SMILES | C(C)CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CO |