| SpectraBase Compound ID | 4yJqDBAZ5Ts |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-7-13-22-17(20)11-9-8-10-12-18(21)23-15-16(2)14-19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | SGVKLWRQFDKCPH-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 | HtNjvs39kxd |
|---|---|
| Name | Pimelic acid, butyl 2,4,4-trimethylpentyl 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/c1-6-7-13-22-17(20)11-9-8-10-12-18(21)23-15-16(2)14-19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | SGVKLWRQFDKCPH-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCC)=O |