99-77-4

对硝基苯甲酸乙酯(99-77-4)质谱(MS)

产品名称:对硝基苯甲酸乙酯

CAS:99-77-4

分子式:C9H9NO4

分子量: 195.17

InChI:InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3

InChIKey: PHWSCBWNPZDYRI-UHFFFAOYSA-N

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

Mass

MS-NW-9044          
ethyl p-nitrobenzoate
C9H9NO4             (Mass of molecular ion:    195)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.7
      28.0       1.3
      29.0       7.9
      30.0       3.1
      39.0       2.3
      45.0      12.1
      50.0      12.5
      51.0       3.3
      53.0       1.2
      63.0       2.1
      64.0       3.0
      65.0      13.2
      74.0       4.2
      75.0      13.3
      76.0      24.1
      77.0       3.8
      81.0       1.5
      92.0      11.5
      93.0       2.6
     103.0       9.6
     104.0      31.7
     105.0       3.0
     109.0       3.7
     120.0      11.7
     121.0      12.9
     122.0       2.1
     134.0       5.6
     135.0       8.8
     137.0       3.8
     148.0       2.2
     149.0       2.9
     150.0     100.0
     151.0      14.4
     152.0       1.6
     167.0      46.6
     168.0       5.6
     178.0      23.0
     179.0       3.5
     194.0       1.3
     195.0       7.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ N O₄	0.046 g : 0.5 ml CDCl₃
ethyl p-nitrobenzoate

    Assign.     Shift(ppm)

      A             8.28
      B             8.21
      C             4.441
      D             1.438

     Hz     ppm     Int.

    748.81   8.361     51
    747.63   8.348     33
    745.63   8.326     34
    742.50   8.291     39
    739.50   8.258    825
    737.88   8.239    813
    734.88   8.206     54
    731.69   8.170     40
    729.69   8.148     34
    728.50   8.135     53
    408.75   4.564    117
    401.56   4.484    436
    394.44   4.405    457
    387.44   4.327    138
    135.69   1.516    463
    128.63   1.437   1000
    121.44   1.356    408

in CDCl3