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

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Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-chlorophenyl ester
SpectraBase Compound ID K1yxqrlNiup
InChI InChI=1S/C16H11Cl2NO3/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 HVQGQWQVWKBDDJ-MDZDMXLPSA-N
Mol Weight 336.17 g/mol
Molecular Formula C16H11Cl2NO3
Exact Mass 335.011599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdN2ADXMSQT
Name Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.011598615 u
Formula C16H11Cl2NO3
InChI InChI=1S/C16H11Cl2NO3/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 HVQGQWQVWKBDDJ-MDZDMXLPSA-N
Molecular Weight 336.174 g/mol
SMILES C1(=CC=C(C=C1)NC(\C=C\C(OC1=C(C=CC=C1)Cl)=O)=O)Cl