| SpectraBase Compound ID | FFwIUOfLLFs |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-17-20-29-24(27)18-15-14-16-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-22H2,1-5H3 |
| InChIKey | MAJKMBMSIXNRLO-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 | GzA8m4YECyg |
|---|---|
| Name | Pimelic acid, 2,4,4-trimethylpentyl undecyl 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/c1-6-7-8-9-10-11-12-13-17-20-29-24(27)18-15-14-16-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-22H2,1-5H3 |
| InChIKey | MAJKMBMSIXNRLO-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCCCCCCCC)=O |