| SpectraBase Compound ID | 2pDv2lC86oK |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-5-6-10-18(13-14-23-4)16-25-20(22)12-9-7-8-11-19(21)24-15-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey | BPYZGLLTOYKPSH-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 | Kxi1E1TOXyw |
|---|---|
| Name | Pimelic acid, isobutyl 2-(2-methoxyethyl)hexyl 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/c1-5-6-10-18(13-14-23-4)16-25-20(22)12-9-7-8-11-19(21)24-15-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey | BPYZGLLTOYKPSH-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(OCC(CCOC)CCCC)(=O)CCCCCC(OCC(C)C)=O |