| SpectraBase Compound ID | 3b1hT0CQLoz |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-8-10-11-12-13-15-19-25-21(23)17-18-22(24)26-20(3)16-14-9-7-5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey | ZIDMKHWWVRUOKF-ISLYRVAYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8K7rIS4qjcq |
|---|---|
| Name | Fumaric acid, decyl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-6-8-10-11-12-13-15-19-25-21(23)17-18-22(24)26-20(3)16-14-9-7-5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey | ZIDMKHWWVRUOKF-ISLYRVAYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCCCOC(\C=C\C(OC(CCCCCC)C)=O)=O)CCCCC |