| SpectraBase Compound ID | KCKXH9hhxM4 |
|---|---|
| InChI | InChI=1S/C21H42O10/c1-3-4-5-31-21(22)20-30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-2/h3-20H2,1-2H3 |
| InChIKey | MJCZRQVSKKOISA-UHFFFAOYSA-N |
| Mol Weight | 454.6 g/mol |
| Molecular Formula | C21H42O10 |
| Exact Mass | 454.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILszjZhmqpZ |
|---|---|
| Name | Butyl 2,5,8,11,14,17,20,23-octaoxapentacosan-25-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.277797542 u |
| Formula | C21H42O10 |
| InChI | InChI=1S/C21H42O10/c1-3-4-5-31-21(22)20-30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-2/h3-20H2,1-2H3 |
| InChIKey | MJCZRQVSKKOISA-UHFFFAOYSA-N |
| Molecular Weight | 454.557 g/mol |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCC(OCCCC)=O |