| SpectraBase Compound ID | EXz54G6xUOY |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-16(2)15-24-19(22)13-11-9-7-8-10-12-14-20(23)25-21(17(3)4)18(5)6/h16-18,21H,7-15H2,1-6H3 |
| InChIKey | IGBMTVOWDIDJSZ-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UWImmIK1Mb |
|---|---|
| Name | Sebacic acid, 2,4-dimethylpent-3-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-16(2)15-24-19(22)13-11-9-7-8-10-12-14-20(23)25-21(17(3)4)18(5)6/h16-18,21H,7-15H2,1-6H3 |
| InChIKey | IGBMTVOWDIDJSZ-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCC(C)C)=O |