| SpectraBase Compound ID | DUdLUXpycaw |
|---|---|
| InChI | InChI=1S/C20H38O/c1-5-6-13-18(2)14-10-8-7-9-11-15-19(3)16-12-17-20(4)21/h7,9,18-19H,5-6,8,10-17H2,1-4H3/b9-7+/t18-,19-/m1/s1 |
| InChIKey | NWRHLJWKUHMWAR-WIWRLWJOSA-N |
| Mol Weight | 294.5 g/mol |
| Molecular Formula | C20H38O |
| Exact Mass | 294.292266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OndHvtpTRM |
|---|---|
| Name | (6S,14R)-6,14-Dimethyl-9-octadecen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.292265843 u |
| Formula | C20H38O |
| InChI | InChI=1S/C20H38O/c1-5-6-13-18(2)14-10-8-7-9-11-15-19(3)16-12-17-20(4)21/h7,9,18-19H,5-6,8,10-17H2,1-4H3/b9-7+/t18-,19-/m1/s1 |
| InChIKey | NWRHLJWKUHMWAR-WIWRLWJOSA-N |
| SMILES | C(=O)(CCC[C@@](CC\C=C\CCC[C@@](CCCC)(C)[H])(C)[H])C |