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Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3-fluorophenyl ester

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Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3-fluorophenyl ester
SpectraBase Compound ID CXvnPVEJxv2
InChI InChI=1S/C16H11ClFNO3/c17-11-4-6-13(7-5-11)19-15(20)8-9-16(21)22-14-3-1-2-12(18)10-14/h1-10H,(H,19,20)/b9-8+
InChIKey LQWOZUXEHMZBQU-CMDGGOBGSA-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 3qFMfyXQPzw
Name Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.041149078 u
Formula C16H11ClFNO3
InChI InChI=1S/C16H11ClFNO3/c17-11-4-6-13(7-5-11)19-15(20)8-9-16(21)22-14-3-1-2-12(18)10-14/h1-10H,(H,19,20)/b9-8+
InChIKey LQWOZUXEHMZBQU-CMDGGOBGSA-N
Molecular Weight 319.719 g/mol
SMILES C1=C(C=CC=C1F)OC(=O)\C=C\C(=O)NC1=CC=C(C=C1)Cl