| SpectraBase Compound ID | IyDjnpv3uyW |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-16(2)14-18(5)24-20(22)13-11-9-7-6-8-10-12-19(21)23-15-17(3)4/h16-18H,6-15H2,1-5H3 |
| InChIKey | FZELVCLPTDINCY-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 | 8nHfWGGK4wg |
|---|---|
| Name | Sebacic acid, isobutyl 4-methylpent-2-yl 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)14-18(5)24-20(22)13-11-9-7-6-8-10-12-19(21)23-15-17(3)4/h16-18H,6-15H2,1-5H3 |
| InChIKey | FZELVCLPTDINCY-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCC(OC(CC(C)C)C)=O)CCCC(OCC(C)C)=O |