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(E)-N2-5-METHYL-4-(2,2,2-TRICHLOROETHYL)-3-CYANOFUR-2-YL-N1-PHENYLFORMAMIDINE (ISOMER 1)
SpectraBase Compound ID L2dfnwqTj3C
InChI InChI=1S/C15H12Cl3N3O/c1-10-12(7-15(16,17)18)13(8-19)14(22-10)21-9-20-11-5-3-2-4-6-11/h2-6,9H,7H2,1H3,(H,20,21)
InChIKey HCEXPLYKSHNRNB-UHFFFAOYSA-N
Mol Weight 356.64 g/mol
Molecular Formula C15H12Cl3N3O
Exact Mass 355.004595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4M68bYBPWSc
Name (E)-N2-5-METHYL-4-(2,2,2-TRICHLOROETHYL)-3-CYANOFUR-2-YL-N1-PHENYLFORMAMIDINE (ISOMER 2)
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Formula C15H12Cl3N3O
InChI InChI=1S/C15H12Cl3N3O/c1-10-12(7-15(16,17)18)13(8-19)14(22-10)21-9-20-11-5-3-2-4-6-11/h2-6,9H,7H2,1H3,(H,20,21)
InChIKey HCEXPLYKSHNRNB-UHFFFAOYSA-N
Instrument Name Bruker AM-300
Literature Reference D.M.ANTONOV, L.I.BELEN'KY, V.S.BOGDANOV, A.A.DUDINOV, M.M.KRAYUSHKIN,V.N.NESTEROV, YU.T.STRUCHKOV, B.I.UGRAK (1992) Khim.Heteroc.Soed.(Russ. Lang.):N11, 1451-1460.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo