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62-23-7

对硝基苯甲酸(62-23-7)红外图谱(IR1)

产品名称:对硝基苯甲酸

CAS:62-23-7

分子式:C7H5NO4

分子量: 167.12

InChI:InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)

InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0315          
    p-nitrobenzoic acid
    C7H5NO4             (Mass of molecular ion:    167)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       1.3
          27.0       1.8
          30.0       8.9
          37.0       2.0
          38.0       3.1
          39.0      12.1
          45.0       3.0
          49.0       1.2
          50.0      18.7
          51.0      12.6
          53.0       3.2
          61.0       1.0
          62.0       1.6
          63.0       3.3
          64.0       2.3
          65.0      64.8
          66.0       3.7
          73.0       2.1
          74.0      10.9
          75.0      17.2
          76.0      13.0
          77.0       1.5
          81.0       7.7
          92.0       2.9
          93.0       5.9
         103.0       5.6
         104.0       6.3
         109.0       9.9
         120.0       1.9
         121.0      43.8
         122.0       3.5
         137.0      10.6
         150.0       3.0
         151.0       2.1
         167.0     100.0
         168.0       8.2
         169.0       1.1
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C7 H5 N O4 0.043 g : 0.5 ml DMSO-d6
    p-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.316 B 8.197

         Hz     ppm     Int.
    

        753.42   8.413     43
        751.86   8.396    277
        749.51   8.369    115
        747.17   8.343     28
        745.21   8.321    178
        742.77   8.294   1000
        741.31   8.278    227
        737.79   8.238    229
        736.33   8.222    988
        733.89   8.195    184
        732.13   8.175     29
        729.59   8.147    120
        727.15   8.120    280
        725.59   8.102     44
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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