| SpectraBase Compound ID | 8c0k7yNiu23 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-15(2)13-22-17(20)10-8-7-9-11-18(21)23-14-16(3)12-19(4,5)6/h15-16H,7-14H2,1-6H3 |
| InChIKey | OVBWKELKIXZZGN-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 | HovVWYjecwJ |
|---|---|
| Name | Pimelic acid, isobutyl 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/c1-15(2)13-22-17(20)10-8-7-9-11-18(21)23-14-16(3)12-19(4,5)6/h15-16H,7-14H2,1-6H3 |
| InChIKey | OVBWKELKIXZZGN-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCC(C)C)=O |