4-NITROBENZENE-AZO-ORCINOL(607-96-5) IR1

Product Name4-NITROBENZENE-AZO-ORCINOL

CAS 607-96-5

Molecular FormulaC13H11N3O4

Molecular Weight273.24

InChIInChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3

InChIKey XDOOUKIUNUWEFT-UHFFFAOYSA-N

SmilesC1(O)=CC(C)=C(N=NC2=CC=C([N+]([O-])=O)C=C2)C(O)=C1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

     A          14.72
     B          11.14
     C          8.352
     D          7.962
     E          6.442
     F          6.094
     G           2.51

     Assigned with 2D spectra.Peak G overlapped to the
     solvent peak. The solvent peak was not deleted
     completely. The part of residual water peak was
     removed from this spectrum.

Spectral Code: 1H NMR : in DMSO-d6

       ppm   Int.  Assign.

       166.27   113     1        
       162.28   491     2        
       152.66   298     3        
       146.17   294     4        
       144.38   496     5        
       131.86   391     6        
       125.18  1000     7        
       120.76   778     8        
       112.93   259     9        
       101.29   440    10        
        17.65   712    11        

     Assigned with 2D spectra.

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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