99-51-4

4-Nitro-o-xylene(99-51-4) IR2

Product Name4-Nitro-o-xylene

CAS 99-51-4

Molecular FormulaC8H9NO2

Molecular Weight151.16

InChIInChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3

InChIKey HFZKOYWDLDYELC-UHFFFAOYSA-N

SmilesC1(C)=CC=C([N+]([O-])=O)C=C1C

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4-Nitro-o-xylene(99-51-4) IR2
Mass

MS-NW-4847          
4-nitro-o-xylene
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0      15.1
      28.0       2.6
      29.0       1.1
      30.0       4.4
      38.0       2.1
      39.0      16.5
      40.0       1.5
      41.0       3.9
      50.0       4.7
      51.0      13.3
      52.0       4.5
      53.0      10.0
      62.0       2.5
      63.0       8.4
      64.0       2.6
      65.0       8.5
      66.0       1.4
      67.0       1.1
      74.0       1.8
      75.0       1.7
      76.0       1.6
      77.0      66.1
      78.0      13.9
      79.0      59.6
      80.0       4.4
      89.0       3.3
      90.0       1.6
      91.0      10.0
      92.0       2.4
      93.0      10.3
     102.0       2.5
     103.0      28.8
     104.0       9.9
     105.0      93.6
     106.0       9.1
     121.0      23.4
     122.0       2.3
     134.0       1.8
     135.0       1.7
     151.0     100.0
     152.0       9.8

90 MHz in CDCl3

4-Nitro-o-xylene(99-51-4) IR2

¹H NMR	89.56 MHz
C₈ H₉ N O₂	0.046 g : 0.5 ml CDCl₃
4-nitro-o-xylene

    Assign.     Shift(ppm)

      A             7.98
      B             7.95
      C             7.26
      D             2.35

     Hz     ppm     Int.

    714.88   7.983    141
    707.50   7.900     53
    705.00   7.872     35
    653.69   7.299     47
    645.44   7.207     38
    210.56   2.352   1000

in CDCl3