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(E)-N2-5-METHYL-4-(2,2,2-TRICHLOROETHYL)-3-CYANOFUR-2-YL-N1-TERT-BUTYLFORMAMIDINE (ISOMER 1)
SpectraBase Compound ID qms8XVmUea
InChI InChI=1S/C13H16Cl3N3O/c1-8-9(5-13(14,15)16)10(6-17)11(20-8)18-7-19-12(2,3)4/h7H,5H2,1-4H3,(H,18,19)
InChIKey SOWRAADEABDSPR-UHFFFAOYSA-N
Mol Weight 336.65 g/mol
Molecular Formula C13H16Cl3N3O
Exact Mass 335.035895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuXjsiQyq68
Name (E)-N2-5-METHYL-4-(2,2,2-TRICHLOROETHYL)-3-CYANOFUR-2-YL-N1-TERT-BUTYLFORMAMIDINE (ISOMER 2)
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Formula C13H16Cl3N3O
InChI InChI=1S/C13H16Cl3N3O/c1-8-9(5-13(14,15)16)10(6-17)11(20-8)18-7-19-12(2,3)4/h7H,5H2,1-4H3,(H,18,19)
InChIKey SOWRAADEABDSPR-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