| SpectraBase Compound ID | 9QTINjnGq6 |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-5-6-13-16-23-19(21)14-11-9-7-8-10-12-15-20(22)24-17-18(2)3/h5-6,18H,4,7-17H2,1-3H3/b6-5- |
| InChIKey | DPGGABIWXFPOMK-WAYWQWQTSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2h6dGUZELha |
|---|---|
| Name | Sebacic acid, cis-hex-3-enyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-4-5-6-13-16-23-19(21)14-11-9-7-8-10-12-15-20(22)24-17-18(2)3/h5-6,18H,4,7-17H2,1-3H3/b6-5- |
| InChIKey | DPGGABIWXFPOMK-WAYWQWQTSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCCC(OCC\C=C/CC)=O)CCCC(OCC(C)C)=O |