| SpectraBase Compound ID | 6Fy7GD0mOmO |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-6-4-2/h3-24H2,1-2H3 |
| InChIKey | XZWLWKJMSBKVEW-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 | 1FHLHNUEJvB |
|---|---|
| Name | Heneicosanoic acid, butyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-6-4-2/h3-24H2,1-2H3 |
| InChIKey | XZWLWKJMSBKVEW-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(CCC(OCCCC)=O)CCCCCCCCCCCCCCCCC |