| SpectraBase Compound ID | CXVGKAZ7Gdm |
|---|---|
| InChI | InChI=1S/C21H42O2/c1-19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20-18-22-21(3,4)23-20/h19-20H,5-18H2,1-4H3 |
| InChIKey | KEEBDRWAHRUZHX-UHFFFAOYSA-N |
| Mol Weight | 326.6 g/mol |
| Molecular Formula | C21H42O2 |
| Exact Mass | 326.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10gnQTQu75j |
|---|---|
| Name | 16-Methyl-heptadecane-1,2-diol, isopropylidene derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.318480590 u |
| Formula | C21H42O2 |
| InChI | InChI=1S/C21H42O2/c1-19(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20-18-22-21(3,4)23-20/h19-20H,5-18H2,1-4H3 |
| InChIKey | KEEBDRWAHRUZHX-UHFFFAOYSA-N |
| Molecular Weight | 326.565 g/mol |
| SMILES | CC(CCCCCCCCCCCCCC1COC(O1)(C)C)C |