| SpectraBase Compound ID | 6lk3qLvyvS8 |
|---|---|
| InChI | InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-10-13-16-21-28-23(26)18-19-24(27)29-22-17-14-11-9-12-15-20-25/h18-19H,2-17,20-22H2,1H3/b19-18+ |
| InChIKey | DKCGWVWEACHCBJ-VHEBQXMUSA-N |
| Mol Weight | 431.1 g/mol |
| Molecular Formula | C24H43ClO4 |
| Exact Mass | 430.284988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pCHVEWS3o9 |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.284987561 u |
| Formula | C24H43ClO4 |
| InChI | InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-10-13-16-21-28-23(26)18-19-24(27)29-22-17-14-11-9-12-15-20-25/h18-19H,2-17,20-22H2,1H3/b19-18+ |
| InChIKey | DKCGWVWEACHCBJ-VHEBQXMUSA-N |
| Molecular Weight | 431.057 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCC)=O)(OCCCCCCCCCl)=O |