| SpectraBase Compound ID | 9gphtb1QqUb |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-5-6-7-11-14-22-18(20)12-9-8-10-13-19(21)23-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | XMOACULYPPFNDO-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 | KTSUF87kkX9 |
|---|---|
| Name | Pimelic acid, hexyl 4-methyl-2-pentyl 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/c1-5-6-7-11-14-22-18(20)12-9-8-10-13-19(21)23-17(4)15-16(2)3/h16-17H,5-15H2,1-4H3 |
| InChIKey | XMOACULYPPFNDO-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | CCCCCCOC(=O)CCCCCC(OC(CC(C)C)C)=O |