| SpectraBase Compound ID | 4ku8Zg5kGku |
|---|---|
| InChI | InChI=1S/C22H39ClO4/c1-2-3-4-5-6-8-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+ |
| InChIKey | LZFVNKBKTMUJRA-WUKNDPDISA-N |
| Mol Weight | 403.0 g/mol |
| Molecular Formula | C22H39ClO4 |
| Exact Mass | 402.253687 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 | EOXueoua2JF |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.253687432 u |
| Formula | C22H39ClO4 |
| InChI | InChI=1S/C22H39ClO4/c1-2-3-4-5-6-8-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+ |
| InChIKey | LZFVNKBKTMUJRA-WUKNDPDISA-N |
| Molecular Weight | 403.003 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCC)=O)(OCCCCCCCCCl)=O |