2,4-dinitro-m-xylene(603-02-1) Raman

Product Name2,4-dinitro-m-xylene

CAS 603-02-1

Molecular FormulaC8H8N2O4

Molecular Weight196.16

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

InChIKey XUUSVHGZGPBZLS-UHFFFAOYSA-N

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

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    Assign.     Shift(ppm)

      A             7.94
      B             7.33
      C             2.456
      D             2.387

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      153.13    80      1
      148.24   100      2
      134.89   433      3
      129.51   841      4
      125.66  1000      5
      125.34   373      6
       17.60   433      7 *
       14.25   438      8 *

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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

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