| SpectraBase Compound ID | ADYs2l3LIi9 |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-6-7-11-14-23-18(21)12-9-8-10-13-19(22)24-16-17(2)15-20(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey | AWIPBIIGJIJJOQ-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H20aGpUwrAa |
|---|---|
| Name | Pimelic acid, pentyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-6-7-11-14-23-18(21)12-9-8-10-13-19(22)24-16-17(2)15-20(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey | AWIPBIIGJIJJOQ-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCC)=O |