| SpectraBase Compound ID | Bq69mM2GOtH |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-5-6-7-8-12-15-18-20(24-18)17(22-2)14-11-9-10-13-16-19(21)23-3/h17-18,20H,4-16H2,1-3H3 |
| InChIKey | WRIQKCBGOBEGTR-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JC2zu8SR4IC |
|---|---|
| Name | 8-Hydroxy-8-(3-octyloxiran-2-yl)octanoic acid, o,o'-bis-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-5-6-7-8-12-15-18-20(24-18)17(22-2)14-11-9-10-13-16-19(21)23-3/h17-18,20H,4-16H2,1-3H3 |
| InChIKey | WRIQKCBGOBEGTR-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCCCC(C1OC1CCCCCCCC)OC)(=O)OC |