| SpectraBase Compound ID | 1vrzoLIbNxq |
|---|---|
| InChI | InChI=1S/C20H40O5/c1-22-17-13-9-8-11-15-19(24-3)18(23-2)14-10-6-5-7-12-16-20(21)25-4/h18-19H,5-17H2,1-4H3 |
| InChIKey | UCYFHIGIOPXWAI-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C20H40O5 |
| Exact Mass | 360.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTTXFeMbjMk |
|---|---|
| Name | Aleuritic acid, methyl ester, trimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.287574383 u |
| Formula | C20H40O5 |
| InChI | InChI=1S/C20H40O5/c1-22-17-13-9-8-11-15-19(24-3)18(23-2)14-10-6-5-7-12-16-20(21)25-4/h18-19H,5-17H2,1-4H3 |
| InChIKey | UCYFHIGIOPXWAI-UHFFFAOYSA-N |
| Molecular Weight | 360.535 g/mol |
| SMILES | C(CCCCCCCC(OC)C(OC)CCCCCCOC)(=O)OC |