| SpectraBase Compound ID | 1DACtCuvg3j |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-5-6-13-16-24-20(22)14-11-9-7-8-10-12-15-21(23)25-19(4)17-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | SUOHHTZYFBDXLT-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 | ARQ2DXovtQp |
|---|---|
| Name | Sebacic acid, 4-methylpent-2-yl pentyl 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/c1-5-6-13-16-24-20(22)14-11-9-7-8-10-12-15-21(23)25-19(4)17-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey | SUOHHTZYFBDXLT-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCC(OC(CC(C)C)C)=O)CCCC(OCCCCC)=O |