| SpectraBase Compound ID | BYOa4MipID0 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-4-6-7-11-15-22-18(20)13-9-8-10-14-19(21)23-16-17(3)12-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | RRFFSHQPOLWBQT-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 | 6CmZ3nb73f3 |
|---|---|
| Name | Pimelic acid, hexyl 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/c1-4-6-7-11-15-22-18(20)13-9-8-10-14-19(21)23-16-17(3)12-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | RRFFSHQPOLWBQT-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OCC(C)CCC)(=O)CCCCCC(OCCCCCC)=O |