| SpectraBase Compound ID | HyR7DBDPTKa |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-18(14-22(3,4)5)16-26-20(24)12-10-9-11-13-21(25)27-17-19(2)15-23(6,7)8/h18-19H,9-17H2,1-8H3 |
| InChIKey | ZPRXJYHZQIEPII-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKItAucWqDG |
|---|---|
| Name | Pimelic acid, di(2,4,4-trimethylpentyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-18(14-22(3,4)5)16-26-20(24)12-10-9-11-13-21(25)27-17-19(2)15-23(6,7)8/h18-19H,9-17H2,1-8H3 |
| InChIKey | ZPRXJYHZQIEPII-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCC(C)CC(C)(C)C)=O |