| SpectraBase Compound ID | 1xeFzxbrF0x |
|---|---|
| InChI | InChI=1S/C19H25ClO4/c1-2-3-4-5-6-7-14-23-18(21)12-13-19(22)24-15-16-8-10-17(20)11-9-16/h8-13H,2-7,14-15H2,1H3/b13-12+ |
| InChIKey | IYFIZKBPGJIZFW-OUKQBFOZSA-N |
| Mol Weight | 352.86 g/mol |
| Molecular Formula | C19H25ClO4 |
| Exact Mass | 352.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Y1i9vPb8Dc |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.144136981 u |
| Formula | C19H25ClO4 |
| InChI | InChI=1S/C19H25ClO4/c1-2-3-4-5-6-7-14-23-18(21)12-13-19(22)24-15-16-8-10-17(20)11-9-16/h8-13H,2-7,14-15H2,1H3/b13-12+ |
| InChIKey | IYFIZKBPGJIZFW-OUKQBFOZSA-N |
| Molecular Weight | 352.858 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)(OCCCCCCCC)=O |