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Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-fluorophenyl ester

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Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-fluorophenyl ester
SpectraBase Compound ID 5crEyEaR7Vr
InChI InChI=1S/C16H11ClFNO3/c17-11-5-7-12(8-6-11)19-15(20)9-10-16(21)22-14-4-2-1-3-13(14)18/h1-10H,(H,19,20)/b10-9+
InChIKey GJZYKHSSQGUEOU-MDZDMXLPSA-N
Mol Weight 319.72 g/mol
Molecular Formula C16H11ClFNO3
Exact Mass 319.041149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9utBp9a86Fo
Name Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.041149078 u
Formula C16H11ClFNO3
InChI InChI=1S/C16H11ClFNO3/c17-11-5-7-12(8-6-11)19-15(20)9-10-16(21)22-14-4-2-1-3-13(14)18/h1-10H,(H,19,20)/b10-9+
InChIKey GJZYKHSSQGUEOU-MDZDMXLPSA-N
Molecular Weight 319.719 g/mol
SMILES C1(=CC=C(C=C1)NC(\C=C\C(OC1=C(C=CC=C1)F)=O)=O)Cl