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Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-chloro-3-methylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-chloro-3-methylphenyl ester
SpectraBase Compound ID 2Wm3vKaM1oW
InChI InChI=1S/C17H13ClFNO3/c1-11-10-12(6-7-13(11)18)23-17(22)9-8-16(21)20-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,21)/b9-8+
InChIKey NMBCZTDHGNNYTG-CMDGGOBGSA-N
Mol Weight 333.75 g/mol
Molecular Formula C17H13ClFNO3
Exact Mass 333.056799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89wwFiMXc2i
Name Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-chloro-3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.056799143 u
Formula C17H13ClFNO3
InChI InChI=1S/C17H13ClFNO3/c1-11-10-12(6-7-13(11)18)23-17(22)9-8-16(21)20-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,21)/b9-8+
InChIKey NMBCZTDHGNNYTG-CMDGGOBGSA-N
Molecular Weight 333.746 g/mol
SMILES C1=C(C=C(C(=C1)Cl)C)OC(=O)\C=C\C(=O)NC1=CC=CC=C1F