| SpectraBase Compound ID | BABg3WT3wqc |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-7-11-17(6-2)15-23-19(21)13-10-8-9-12-18(20)22-14-16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | YLPMBERALXKHAH-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 | 7my99U16yBT |
|---|---|
| Name | Pimelic acid, 2-ethylhexyl isobutyl 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/c1-5-7-11-17(6-2)15-23-19(21)13-10-8-9-12-18(20)22-14-16(3)4/h16-17H,5-15H2,1-4H3 |
| InChIKey | YLPMBERALXKHAH-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(CC)CCCC)(=O)CCCCCC(OCC(C)C)=O |