| SpectraBase Compound ID | ZcSyaXn7ca |
|---|---|
| InChI | InChI=1S/C23H38O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(28-20(3)25)17-23(29-21(4)26)18-27-19(2)24/h1,22-23H,6-18H2,2-4H3 |
| InChIKey | KLIJLXUEVYDIHQ-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C23H38O6 |
| Exact Mass | 410.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FhQED9MLCNx |
|---|---|
| Name | Avocadyne, triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.266838938 u |
| Formula | C23H38O6 |
| InChI | InChI=1S/C23H38O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(28-20(3)25)17-23(29-21(4)26)18-27-19(2)24/h1,22-23H,6-18H2,2-4H3 |
| InChIKey | KLIJLXUEVYDIHQ-UHFFFAOYSA-N |
| Molecular Weight | 410.551 g/mol |
| SMILES | C(OC(=O)C)(CC(OC(=O)C)COC(=O)C)CCCCCCCCCCCC#C |