| SpectraBase Compound ID | DXv7FL8ZOGg |
|---|---|
| InChI | InChI=1S/C21H37ClO4/c1-2-3-4-5-7-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-9-12-17-22/h15-16H,2-14,17-19H2,1H3/b16-15+ |
| InChIKey | WKCQJAPPHZEXMS-FOCLMDBBSA-N |
| Mol Weight | 389.0 g/mol |
| Molecular Formula | C21H37ClO4 |
| Exact Mass | 388.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AnKiWFkqrhp |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.238037367 u |
| Formula | C21H37ClO4 |
| InChI | InChI=1S/C21H37ClO4/c1-2-3-4-5-7-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-9-12-17-22/h15-16H,2-14,17-19H2,1H3/b16-15+ |
| InChIKey | WKCQJAPPHZEXMS-FOCLMDBBSA-N |
| Molecular Weight | 388.976 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCC)=O)(OCCCCCCCCCl)=O |