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网站主页CAS数据库列表 88-99-3更多图谱邻苯二甲酸(88-99-3)质谱(MS)

邻苯二甲酸

产品名称 邻苯二甲酸

CAS号88-99-3

分子式C8H6O4

分子量166.13

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  • Mass

    MS-NW-1792          
    phthalic acid
    C8H6O4              (Mass of molecular ion:    166)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       2.4
          18.0      11.0
          26.0       1.2
          27.0       2.9
          28.0       3.8
          29.0       1.1
          36.0       1.0
          37.0       9.3
          37.5       2.9
          38.0      13.6
          39.0      18.9
          40.0       1.0
          41.0       1.1
          43.0       1.2
          44.0       2.1
          45.0       6.0
          47.0       2.0
          49.0       5.6
          50.0      49.7
          51.0      17.7
          52.0       7.5
          53.0       5.4
          55.0       1.3
          57.0       1.2
          61.0       2.6
          62.0       1.9
          63.0       4.2
          64.0       3.4
          65.0      30.0
          66.0       3.7
          69.0       1.0
          73.0       5.2
          74.0      20.7
          75.0      14.5
          76.0      70.9
          77.0      35.6
          78.0       4.5
          92.0       5.0
          93.0      16.7
          94.0       4.1
         104.0      74.4
         105.0     100.0
         106.0       7.5
         121.0       9.1
         122.0      98.0
         123.0       8.2
         148.0      17.8
         149.0      19.7
         150.0       1.9
         166.0      13.1
         167.0       1.4
    

400 MHz in DMSO-d6

90 MHz in DMSO-06


  • 1H NMR 399.65 MHz
    C8 H6 O4 0.039 g : 0.5 ml DMSO-d6
    phthalic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.698 C 7.601

         Hz     ppm     Int.
    

       3086.24   7.723     68
       3085.17   7.720     88
       3081.75   7.712    690
       3078.33   7.703    755
       3075.98   7.697    749
       3072.78   7.689    998
       3068.50   7.678    144
       3045.64   7.621    179
       3041.58   7.611   1000
       3038.37   7.603    666
       3036.02   7.597    732
       3032.60   7.589    676
       3029.19   7.580     67
       3028.12   7.577     57
    


  • 1H NMR 89.56 MHz
    C8 H6 O4 0.034 g : 0.5 ml DMSO-d6
    phthalic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.69 C 7.60

         Hz     ppm     Int.
    

       1126.17  12.575     21
        695.90   7.771    145
        693.16   7.740     99
        691.41   7.721    235
        688.87   7.692    319
        686.43   7.665   1000
        683.69   7.634    932
        681.25   7.607    291
        678.71   7.579    270
        676.95   7.559    139
        674.22   7.529    190
        671.78   7.501     54
    

KBr disc



nujol mull



4880 A,200 M,powder



TI(III) COMPLEX IN C6H6/C6H5(CH3), S-BAND

TI(III) COMPLEX IN C6H6/(CH3)C6H5, Q-BAND

TI(III) COMPLEX IN C6H6/(CH3)C6H5, X-BAND