| SpectraBase Compound ID | GwrU9dfmMTw |
|---|---|
| InChI | InChI=1S/C28H56O2/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(27)30/h27-30H,1-26H2/t27-,28+ |
| InChIKey | SCBLOXNOZQMPGS-HNRBIFIRSA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C28H56O2 |
| Exact Mass | 424.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UjuosZX1Pb |
|---|---|
| Name | 1,2-Cyclooctacosanediol, (1R*,2S*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.428031041 u |
| Formula | C28H56O2 |
| InChI | InChI=1S/C28H56O2/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(27)30/h27-30H,1-26H2/t27-,28+ |
| InChIKey | SCBLOXNOZQMPGS-HNRBIFIRSA-N |
| Molecular Weight | 424.754 g/mol |
| SMILES | [C@]1([C@@](O)(CCCCCCCCCCCCCCCCCCCCCCCCCC1)[H])(O)[H] |