| SpectraBase Compound ID | 3RuktU7mFIr |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-5-9-10-11-12-17-24-20(22)15-16-21(23)25-19(8-4)14-13-18(6-2)7-3/h15-16,18-19H,5-14,17H2,1-4H3/b16-15+ |
| InChIKey | VPCAWOHWPWZMHI-FOCLMDBBSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | h23LorSFVg |
|---|---|
| Name | Fumaric acid, 6-ethyloct-3-yl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-5-9-10-11-12-17-24-20(22)15-16-21(23)25-19(8-4)14-13-18(6-2)7-3/h15-16,18-19H,5-14,17H2,1-4H3/b16-15+ |
| InChIKey | VPCAWOHWPWZMHI-FOCLMDBBSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O |