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

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Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester
SpectraBase Compound ID DI87kMGnndL
InChI InChI=1S/C16H11BrFNO3/c17-11-5-7-12(8-6-11)22-16(21)10-9-15(20)19-14-4-2-1-3-13(14)18/h1-10H,(H,19,20)/b10-9+
InChIKey FRODGEGERZUMCR-MDZDMXLPSA-N
Mol Weight 364.17 g/mol
Molecular Formula C16H11BrFNO3
Exact Mass 362.990634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6V4YL0BY5k
Name Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.990634378 u
Formula C16H11BrFNO3
InChI InChI=1S/C16H11BrFNO3/c17-11-5-7-12(8-6-11)22-16(21)10-9-15(20)19-14-4-2-1-3-13(14)18/h1-10H,(H,19,20)/b10-9+
InChIKey FRODGEGERZUMCR-MDZDMXLPSA-N
Molecular Weight 364.170 g/mol
SMILES C1=C(C=CC(=C1)Br)OC(=O)\C=C\C(=O)NC1=CC=CC=C1F