| SpectraBase Compound ID | AZxrQe9RhVe |
|---|---|
| InChI | InChI=1S/C20H27ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)12-13-20(23)25-17-14-18-10-6-5-7-11-18/h5-7,10-13H,1-4,8-9,14-17H2/b13-12+ |
| InChIKey | CJCFPTGRBPEAMS-OUKQBFOZSA-N |
| Mol Weight | 366.89 g/mol |
| Molecular Formula | C20H27ClO4 |
| Exact Mass | 366.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9isT98k5PV0 |
|---|---|
| Name | Fumaric acid, 2-phenethyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.159787045 u |
| Formula | C20H27ClO4 |
| InChI | InChI=1S/C20H27ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)12-13-20(23)25-17-14-18-10-6-5-7-11-18/h5-7,10-13H,1-4,8-9,14-17H2/b13-12+ |
| InChIKey | CJCFPTGRBPEAMS-OUKQBFOZSA-N |
| Molecular Weight | 366.885 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OCCC1=CC=CC=C1)=O |