| SpectraBase Compound ID | JxuRD01aIYN |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-10-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey | FRYYDDOUGYKZSA-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 | 3lLs3A6I0dC |
|---|---|
| Name | Hexadecyl nonanoate |
| 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/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-10-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey | FRYYDDOUGYKZSA-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(CCCCCCCC)(=O)OCCCCCCCCCCCCCCCC |