| SpectraBase Compound ID | 2ZpAgZc8be2 |
|---|---|
| InChI | InChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-25-24-27/h2-23,25H2,1H3 |
| InChIKey | AJPKNVDBCIQZRH-UHFFFAOYSA-N |
| Mol Weight | 407.7 g/mol |
| Molecular Formula | C26H49NO2 |
| Exact Mass | 407.37633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EF0Ou0pbCN4 |
|---|---|
| Name | Lignoceric acid, cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.376329820 u |
| Formula | C26H49NO2 |
| InChI | InChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-25-24-27/h2-23,25H2,1H3 |
| InChIKey | AJPKNVDBCIQZRH-UHFFFAOYSA-N |
| Molecular Weight | 407.683 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(OCC#N)=O |