| SpectraBase Compound ID | IOItw4Y2Vdx |
|---|---|
| InChI | InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22)20-23/h21-23H,2-20H2,1H3 |
| InChIKey | HUHIKZFEXLRXRB-UHFFFAOYSA-N |
| Mol Weight | 328.6 g/mol |
| Molecular Formula | C21H44O2 |
| Exact Mass | 328.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IKxj4rfBDl |
|---|---|
| Name | 2-Octadecyl-propane-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.334130655 u |
| Formula | C21H44O2 |
| InChI | InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22)20-23/h21-23H,2-20H2,1H3 |
| InChIKey | HUHIKZFEXLRXRB-UHFFFAOYSA-N |
| Molecular Weight | 328.581 g/mol |
| SMILES | C(O)C(CCCCCCCCCCCCCCCCCC)CO |