| SpectraBase Compound ID | IbqVRurDp0k |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-5-16-23-19(21)14-10-8-6-7-9-11-15-20(22)24-17-12-13-18(2)3/h4-5,18H,6-17H2,1-3H3/b5-4+ |
| InChIKey | PSOVCSWKJBAMDQ-SNAWJCMRSA-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 | 52UYNx8mNCf |
|---|---|
| Name | Sebacic acid, but-2-enyl isohexyl 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/c1-4-5-16-23-19(21)14-10-8-6-7-9-11-15-20(22)24-17-12-13-18(2)3/h4-5,18H,6-17H2,1-3H3/b5-4+ |
| InChIKey | PSOVCSWKJBAMDQ-SNAWJCMRSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCC(C)C)=O |