| SpectraBase Compound ID | LHLYaCbB0oY |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-10-16(4)14-22-18(20)11-8-7-9-12-19(21)23-17(5)13-15(2)3/h15-17H,6-14H2,1-5H3 |
| InChIKey | QWIZDBGEYROCIN-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 | 2stOA7eVAxB |
|---|---|
| Name | Pimelic acid, 4-methyl-2-pentyl 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/c1-6-10-16(4)14-22-18(20)11-8-7-9-12-19(21)23-17(5)13-15(2)3/h15-17H,6-14H2,1-5H3 |
| InChIKey | QWIZDBGEYROCIN-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(C)CCC)(=O)CCCCCC(OC(CC(C)C)C)=O |