119-33-5

2-硝基-4-甲苯酚(119-33-5)红外图谱(IR1)

产品名称:2-硝基-4-甲苯酚

CAS:119-33-5

分子式:C7H7NO3

分子量: 153.14

InChI:InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3

InChIKey: SYDNSSSQVSOXTN-UHFFFAOYSA-N

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

Mass

MS-NW-4919          
2-nitro-p-cresol
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.8
      26.0       2.0
      27.0       8.5
      28.0       3.6
      29.0       1.6
      30.0       4.5
      37.0       1.6
      38.0       2.9
      39.0      14.7
      40.0       1.7
      41.0       4.7
      43.0       4.5
      49.0       1.0
      50.0       7.6
      51.0      18.0
      52.0      15.0
      53.0      14.6
      54.0       1.2
      55.0       8.6
      61.0       1.0
      62.0       2.0
      63.0       6.0
      64.0       1.8
      65.0       9.5
      66.0       3.1
      67.0       6.5
      74.0       1.3
      75.0       1.1
      76.0       1.9
      77.0      42.2
      78.0      25.4
      79.0       8.4
      80.0       1.3
      81.0       1.1
      91.0       1.6
      92.0       2.0
      95.0      11.3
     105.0      10.9
     106.0       4.4
     107.0      18.8
     108.0       6.4
     120.0       1.8
     123.0       8.6
     135.0       1.9
     136.0       6.9
     137.0       1.8
     152.0       1.8
     153.0     100.0
     154.0       8.4
     155.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ N O₃	0.039 g : 0.5 ml CDCl₃
2-nitro-p-cresol

    Assign.     Shift(ppm)

      A            10.41
      B             7.876
      C             7.379
      D             7.048
      E             2.337
     
     J(A,D)=0.4HZ. J(C,D)=8.5HZ.

     Hz     ppm     Int.

    932.88  10.417    618
    932.44  10.412    625
    707.38   7.899     95
    706.94   7.894    106
    706.50   7.889    114
    706.13   7.885    127
    705.19   7.874    138
    704.75   7.870    130
    704.31   7.865    132
    703.94   7.860    118
    667.88   7.458     52
    667.44   7.453     72
    666.88   7.447     58
    666.25   7.440     31
    665.69   7.433     51
    665.19   7.428     66
    664.69   7.422     50
    659.31   7.362     85
    658.81   7.357    116
    658.31   7.351     91
    657.81   7.345     52
    657.13   7.338     88
    656.63   7.332    114
    656.19   7.327     88
    634.44   7.084    275
    625.88   6.989    162
    209.31   2.338   1000

in CDCl3