| SpectraBase Compound ID | KOZf58EOcJI |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-20-24-30-26(28)22-18-16-17-21-25(27)29-23-19-14-12-10-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey | LOIGORQHFIXAFW-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65JkyR37eVK |
|---|---|
| Name | Pimelic acid, decyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.370910086 u |
| Formula | C26H50O4 |
| InChI | InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-20-24-30-26(28)22-18-16-17-21-25(27)29-23-19-14-12-10-8-6-4-2/h3-24H2,1-2H3 |
| InChIKey | LOIGORQHFIXAFW-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCOC(=O)CCCCCC(OCCCCCCCCCC)=O)CCC |