4,6-DINITRO-1,3-XYLENE(616-72-8) ¹³C NMR

Product Name4,6-DINITRO-1,3-XYLENE

CAS 616-72-8

Molecular FormulaC8H8N2O4

Molecular Weight196.16

InChIInChI=1S/C8H8N2O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3

InChIKey FOWXIRIJHSFCRC-UHFFFAOYSA-N

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

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    Assign.     Shift(ppm)

      A             8.69
      B             7.39
      C             2.69

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      146.81   191      1
      139.09   985      2
      137.43   719      3
      121.75   553      4
       20.57  1000      5

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

Spectral Code: Raman : 4880 A,200 M,powder

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4,6-DINITRO-1,3-XYLENE(616-72-8) 13C NMR

4,6-DINITRO-1,3-XYLENE(616-72-8) ¹³C NMR