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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-chlorophenyl ester

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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-chlorophenyl ester
SpectraBase Compound ID 8rbienXt6U9
InChI InChI=1S/C17H13Cl2NO4/c1-23-15-7-6-11(18)10-13(15)20-16(21)8-9-17(22)24-14-5-3-2-4-12(14)19/h2-10H,1H3,(H,20,21)/b9-8+
InChIKey PXOYZBRSISBTHA-CMDGGOBGSA-N
Mol Weight 366.2 g/mol
Molecular Formula C17H13Cl2NO4
Exact Mass 365.022163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3j01u0rlxUy
Name Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.022163299 u
Formula C17H13Cl2NO4
InChI InChI=1S/C17H13Cl2NO4/c1-23-15-7-6-11(18)10-13(15)20-16(21)8-9-17(22)24-14-5-3-2-4-12(14)19/h2-10H,1H3,(H,20,21)/b9-8+
InChIKey PXOYZBRSISBTHA-CMDGGOBGSA-N
Molecular Weight 366.200 g/mol
SMILES COC1=CC=C(C=C1NC(\C=C\C(OC1=C(C=CC=C1)Cl)=O)=O)Cl