| SpectraBase Compound ID | 2q57KkscxBH |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-5-6-10-19(13-15-24-4)14-16-25-20(22)11-8-7-9-12-21(23)26-17-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | ZMSJMVZPKOPAEW-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDl7vfMKCYU |
|---|---|
| Name | Pimelic acid, isobutyl 3-(2-methoxyethyl)heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-5-6-10-19(13-15-24-4)14-16-25-20(22)11-8-7-9-12-21(23)26-17-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | ZMSJMVZPKOPAEW-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCC(C)C)=O |