| SpectraBase Compound ID | DaMZufzG3Vj |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-10-16(3)14-22-18(20)12-8-7-9-13-19(21)23-15-17(4)11-6-2/h16-17H,5-15H2,1-4H3 |
| InChIKey | WIMLMBQHPOQQNI-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 | 8zY345JNxrF |
|---|---|
| Name | Pimelic acid, di(2-methylpentyl) 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/c1-5-10-16(3)14-22-18(20)12-8-7-9-13-19(21)23-15-17(4)11-6-2/h16-17H,5-15H2,1-4H3 |
| InChIKey | WIMLMBQHPOQQNI-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(C)CCC)(=O)CCCCCC(OCC(CCC)C)=O |