3,3'-DINITROBENZIDINE(6271-79-0) 1H NMR
Molecular FormulaC12H10N4O4
Molecular Weight274.23
InChIInChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
InChIKey OCEINMLGYDSKFW-UHFFFAOYSA-N
SmilesC1(C2=CC=C(N)C([N+]([O-])=O)=C2)=CC=C(N)C([N+]([O-])=O)=C1
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Assign. Shift(ppm)
A 8.149
B 7.746
C 7.57
D 7.129
J(A,B)=2.3HZ
J(B,D)=8.9HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
145.23 972 1
133.47 626 2
130.33 804 3
125.69 1000 4
121.25 692 5
120.08 523 6
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc