| SpectraBase Compound ID | 7bQmXxKHQt1 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-16(6-2)14-22-18(20)12-10-9-11-13-19(21)23-15-17(7-3)8-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | IQAOYAFGSXUADL-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43cMK3911e5 |
|---|---|
| Name | Pimelic acid, di(2-ethylbutyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-5-16(6-2)14-22-18(20)12-10-9-11-13-19(21)23-15-17(7-3)8-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | IQAOYAFGSXUADL-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(CC)CC)(=O)CCCCCC(OCC(CC)CC)=O |