| SpectraBase Compound ID | 7UPmVvHBLI8 |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-16(2)15-23-18(21)13-11-9-7-8-10-12-14-19(22)24-17(3)20(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | LKTCPSXTSMOLTL-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 | KyTccebcXOa |
|---|---|
| Name | Sebacic acid, 3,3-dimethylbut-2-yl isobutyl 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/c1-16(2)15-23-18(21)13-11-9-7-8-10-12-14-19(22)24-17(3)20(4,5)6/h16-17H,7-15H2,1-6H3 |
| InChIKey | LKTCPSXTSMOLTL-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCC(C)C)=O |