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Fumaric acid, monoamide, N-(2-bromophenyl)-, 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-bromophenyl)-, 2,4,6-trichlorophenyl ester
SpectraBase Compound ID IpHYHNqyTcV
InChI InChI=1S/C16H9BrCl3NO3/c17-10-3-1-2-4-13(10)21-14(22)5-6-15(23)24-16-11(19)7-9(18)8-12(16)20/h1-8H,(H,21,22)/b6-5+
InChIKey KPDQBWJRVINLGB-AATRIKPKSA-N
Mol Weight 449.52 g/mol
Molecular Formula C16H9BrCl3NO3
Exact Mass 446.883139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bgl66sYk8ka
Name Fumaric acid, monoamide, N-(2-bromophenyl)-, 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.883139251 u
Formula C16H9BrCl3NO3
InChI InChI=1S/C16H9BrCl3NO3/c17-10-3-1-2-4-13(10)21-14(22)5-6-15(23)24-16-11(19)7-9(18)8-12(16)20/h1-8H,(H,21,22)/b6-5+
InChIKey KPDQBWJRVINLGB-AATRIKPKSA-N
Molecular Weight 449.515 g/mol
SMILES C1=CC=C(C(=C1)Br)NC(\C=C\C(OC1=C(C=C(Cl)C=C1Cl)Cl)=O)=O