| SpectraBase Compound ID | HsIkOnxyf75 |
|---|---|
| InChI | InChI=1S/C19H24Cl2O4/c1-2-3-4-5-6-7-8-14-24-17(22)12-13-18(23)25-19-15(20)10-9-11-16(19)21/h9-13H,2-8,14H2,1H3/b13-12+ |
| InChIKey | CJYZAQKENCBZAF-OUKQBFOZSA-N |
| Mol Weight | 387.3 g/mol |
| Molecular Formula | C19H24Cl2O4 |
| Exact Mass | 386.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XdsyyBZt1b |
|---|---|
| Name | Fumaric acid, 2,6-dichlorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.105164649 u |
| Formula | C19H24Cl2O4 |
| InChI | InChI=1S/C19H24Cl2O4/c1-2-3-4-5-6-7-8-14-24-17(22)12-13-18(23)25-19-15(20)10-9-11-16(19)21/h9-13H,2-8,14H2,1H3/b13-12+ |
| InChIKey | CJYZAQKENCBZAF-OUKQBFOZSA-N |
| Molecular Weight | 387.303 g/mol |
| SMILES | C1(=C(C(=CC=C1)Cl)OC(\C=C\C(OCCCCCCCCC)=O)=O)Cl |