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Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester
SpectraBase Compound ID C8xQEUESqGE
InChI InChI=1S/C17H12Cl3NO3/c1-21(12-5-3-2-4-6-12)15(22)7-8-16(23)24-17-13(19)9-11(18)10-14(17)20/h2-10H,1H3/b8-7+
InChIKey IPLQFONTBKNXRE-BQYQJAHWSA-N
Mol Weight 384.65 g/mol
Molecular Formula C17H12Cl3NO3
Exact Mass 382.988276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxCsnqV1uQG
Name Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.988276347 u
Formula C17H12Cl3NO3
InChI InChI=1S/C17H12Cl3NO3/c1-21(12-5-3-2-4-6-12)15(22)7-8-16(23)24-17-13(19)9-11(18)10-14(17)20/h2-10H,1H3/b8-7+
InChIKey IPLQFONTBKNXRE-BQYQJAHWSA-N
Molecular Weight 384.646 g/mol
SMILES CN(C(=O)\C=C\C(OC1=C(C=C(Cl)C=C1Cl)Cl)=O)C1=CC=CC=C1