| SpectraBase Compound ID | 5lt6CfHIHqD |
|---|---|
| InChI | InChI=1S/C17H21ClO4/c1-3-4-5-6-13(2)21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3/b12-11+ |
| InChIKey | FJYCRCIXAJCGDN-VAWYXSNFSA-N |
| Mol Weight | 324.8 g/mol |
| Molecular Formula | C17H21ClO4 |
| Exact Mass | 324.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDM7fEmJiia |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.112836852 u |
| Formula | C17H21ClO4 |
| InChI | InChI=1S/C17H21ClO4/c1-3-4-5-6-13(2)21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3/b12-11+ |
| InChIKey | FJYCRCIXAJCGDN-VAWYXSNFSA-N |
| Molecular Weight | 324.804 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=CC=C(C=C1)Cl)=O |