| SpectraBase Compound ID | INLLkxC0FY |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-5-6-7-11-15-24-19(21)12-9-8-10-13-20(22)25-18(3)17(2)14-16-23-4/h17-18H,5-16H2,1-4H3 |
| InChIKey | IRQBZAAGFJFHRW-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNA2Cooc3wB |
|---|---|
| Name | Pimelic acid, hexyl 5-methoxy-3-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-5-6-7-11-15-24-19(21)12-9-8-10-13-20(22)25-18(3)17(2)14-16-23-4/h17-18H,5-16H2,1-4H3 |
| InChIKey | IRQBZAAGFJFHRW-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCC)=O |