| SpectraBase Compound ID | 36X1p71UAFj |
|---|---|
| InChI | InChI=1S/C20H27ClO4/c1-2-3-4-5-6-7-8-11-16-24-19(22)14-15-20(23)25-18-13-10-9-12-17(18)21/h9-10,12-15H,2-8,11,16H2,1H3/b15-14+ |
| InChIKey | SAHYSUDNMDZBBG-CCEZHUSRSA-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 | 68D4QvlCZ7v |
|---|---|
| Name | Fumaric acid, 2-chlorophenyl decyl 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/c1-2-3-4-5-6-7-8-11-16-24-19(22)14-15-20(23)25-18-13-10-9-12-17(18)21/h9-10,12-15H,2-8,11,16H2,1H3/b15-14+ |
| InChIKey | SAHYSUDNMDZBBG-CCEZHUSRSA-N |
| Molecular Weight | 366.885 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCC)=O |