| SpectraBase Compound ID | IRdTZfwoR24 |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-23(22-24(26)27-5)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25(2,3)4/h23H,6-22H2,1-5H3 |
| InChIKey | OUIZSTMJYPOTOW-UHFFFAOYSA-N |
| Mol Weight | 382.7 g/mol |
| Molecular Formula | C25H50O2 |
| Exact Mass | 382.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MuN9Aw6urF |
|---|---|
| Name | Heneicosanoic acid, 3,20,20-trimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.381080848 u |
| Formula | C25H50O2 |
| InChI | InChI=1S/C25H50O2/c1-23(22-24(26)27-5)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25(2,3)4/h23H,6-22H2,1-5H3 |
| InChIKey | OUIZSTMJYPOTOW-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(CC(CC(OC)=O)C)CCCCCCCCCCCCCCC(C)(C)C |