| SpectraBase Compound ID | 3nsuLYic2gc |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-4-7-9-10-11-12-13-14-18-22-29-25(27)20-16-15-17-21-26(28)30-23-24(6-3)19-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | GBDHRCVVTOTPAI-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 | BOZxizxt8zG |
|---|---|
| Name | Pimelic acid, 2-ethylhexyl 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/c1-4-7-9-10-11-12-13-14-18-22-29-25(27)20-16-15-17-21-26(28)30-23-24(6-3)19-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | GBDHRCVVTOTPAI-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(OCC(CC)CCCC)(=O)CCCCCC(OCCCCCCCCCCC)=O |