| SpectraBase Compound ID | Cknv9Ys8eWD |
|---|---|
| InChI | InChI=1S/C16H9Cl2FO4/c17-10-5-6-13(11(18)9-10)22-15(20)7-8-16(21)23-14-4-2-1-3-12(14)19/h1-9H/b8-7+ |
| InChIKey | ALNLHSNCANEMTD-BQYQJAHWSA-N |
| Mol Weight | 355.15 g/mol |
| Molecular Formula | C16H9Cl2FO4 |
| Exact Mass | 353.986192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2eMvhMUpUp6 |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.986192329 u |
| Formula | C16H9Cl2FO4 |
| InChI | InChI=1S/C16H9Cl2FO4/c17-10-5-6-13(11(18)9-10)22-15(20)7-8-16(21)23-14-4-2-1-3-12(14)19/h1-9H/b8-7+ |
| InChIKey | ALNLHSNCANEMTD-BQYQJAHWSA-N |
| Molecular Weight | 355.148 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O |