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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>62-23-7更多圖譜> 對硝基苯甲酸(62-23-7)紅外圖譜(IR1)

62-23-7

對硝基苯甲酸(62-23-7)紅外圖譜(IR1)

產(chǎn)品名稱:對硝基苯甲酸

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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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