| SpectraBase Compound ID | 9LlK3u8Rfv |
|---|---|
| InChI | InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h25H,4-24H2,1-3H3 |
| InChIKey | MLOOWFAQLIBHEP-UHFFFAOYSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C26H52O2 |
| Exact Mass | 396.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCwcXoOmAGw |
|---|---|
| Name | Docosanoic acid, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.396730912 u |
| Formula | C26H52O2 |
| InChI | InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h25H,4-24H2,1-3H3 |
| InChIKey | MLOOWFAQLIBHEP-UHFFFAOYSA-N |
| Molecular Weight | 396.700 g/mol |
| SMILES | C(CCC(OCC(C)C)=O)CCCCCCCCCCCCCCCCCC |