| SpectraBase Compound ID | LW6Gea0sA0d |
|---|---|
| InChI | InChI=1S/C16H10ClFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+ |
| InChIKey | YOSSXVUCJURFLN-MDZDMXLPSA-N |
| Mol Weight | 320.7 g/mol |
| Molecular Formula | C16H10ClFO4 |
| Exact Mass | 320.025165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuLSbeB4MtB |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.025164661 u |
| Formula | C16H10ClFO4 |
| InChI | InChI=1S/C16H10ClFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+ |
| InChIKey | YOSSXVUCJURFLN-MDZDMXLPSA-N |
| Molecular Weight | 320.703 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)Cl)=O |