| SpectraBase Compound ID | B0UfU4zHyCr |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-8-9-10-11-12-13-15-19-25-21(23)17-18-22(24)26-20(3)16-14-7-5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey | WSCUKDXGHMNAOC-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 | FZDHtVFlZnm |
|---|---|
| Name | Fumaric acid, 2-heptyl undecyl 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/c1-4-6-8-9-10-11-12-13-15-19-25-21(23)17-18-22(24)26-20(3)16-14-7-5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey | WSCUKDXGHMNAOC-ISLYRVAYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(OC(C)CCCCC)(\C=C\C(OCCCCCCCCCCC)=O)=O |