| SpectraBase Compound ID | FGaQEGV0Yer |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24(26)27-4/h5-23H2,1-4H3 |
| InChIKey | PHEXLZJBYAKLTC-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 | 3x0M9csDlGr |
|---|---|
| Name | Docosanoic acid, 4,4-dimethyl-, 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24(26)27-4/h5-23H2,1-4H3 |
| InChIKey | PHEXLZJBYAKLTC-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCC)(CCC(OC)=O)(C)C |