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

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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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

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

KBr disc

nujol mull

ANION RADICAL, ELECTROLYTIC REDUCTION IN CH3CN

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