| SpectraBase Compound ID | 9NPTjGDrHDq |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24/h23H,2-22H2,1H3 |
| InChIKey | YOBPFSBRTYQJGQ-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C23H46O2 |
| Exact Mass | 354.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kergwN6Yu5 |
|---|---|
| Name | 1-Docosanol, formate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.349780719 u |
| Formula | C23H46O2 |
| InChI | InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24/h23H,2-22H2,1H3 |
| InChIKey | YOBPFSBRTYQJGQ-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | C(CCCCCCCCCCOC=O)CCCCCCCCCCC |