| SpectraBase Compound ID | Fb3VhukR0Gx |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-11-14-19-25-21(23)17-18-22(24)26-20-15-12-9-10-13-16-20/h17-18,20H,2-16,19H2,1H3/b18-17+ |
| InChIKey | KDBPVJMZMCAFNV-ISLYRVAYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNikjX8juso |
|---|---|
| Name | Fumaric acid, cycloheptyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-11-14-19-25-21(23)17-18-22(24)26-20-15-12-9-10-13-16-20/h17-18,20H,2-16,19H2,1H3/b18-17+ |
| InChIKey | KDBPVJMZMCAFNV-ISLYRVAYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C1C(CCCCC1)OC(\C=C\C(OCCCCCCCCCCC)=O)=O |