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返回ChemicalBook首页>CAS数据库列表>2736-23-4更多图谱> 2,4-二氯-5-磺酰胺基苯甲酸(2736-23-4)核磁图(1HNMR)

2736-23-4

2,4-二氯-5-磺酰胺基苯甲酸(2736-23-4)核磁图(1HNMR)

分子式:C7H5Cl2NO4S

分子量: 270.09

InChI:InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)

InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1Cl

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    Mass

    MS-KW-0173          
    2,4-dichloro-5-sulfamoylbenzoic acid
    C7H5Cl2NO4S         (Mass of molecular ion:    269)
    

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

          16.0       1.7
          17.0       2.7
          18.0      10.7
          27.0       3.1
          28.0      20.6
          29.0       1.1
          32.0       1.5
          35.0       2.1
          36.0      21.6
          37.0       4.1
          38.0       8.7
          39.0       1.0
          44.0      13.2
          45.0       8.2
          46.0       2.5
          47.0       1.4
          48.0       6.4
          49.0       2.9
          50.0       7.3
          51.0       3.0
          52.0       1.2
          53.0       4.4
          54.0       2.0
          55.0       1.1
          60.0       1.6
          61.0       5.1
          62.0       8.3
          63.0      10.3
          64.0      50.9
          65.0       2.6
          66.0       3.5
          68.0       1.5
          69.0       3.0
          71.0       1.1
          72.0       4.3
          73.0      22.0
          74.0      46.7
          75.0      13.8
          76.0       2.3
          77.0       1.4
          78.0       1.6
          79.0       2.0
          80.0       6.2
          81.0       1.2
          83.0       3.7
          84.0      10.3
          84.5       2.1
          85.0       7.0
          86.0       4.5
          87.0       4.8
          88.0       1.1
          89.0       2.4
          90.0       3.1
          91.0       1.9
          93.0       1.3
          95.0       1.0
          96.0       1.9
          97.0      15.7
          98.0       3.3
          99.0       6.7
         100.0       1.6
         101.0       1.5
         105.0       1.2
         106.0       1.1
         107.0       3.4
         108.0      10.7
         109.0      30.0
         110.0       7.7
         111.0      10.6
         112.0       1.9
         113.0       2.2
         114.0       1.2
         115.0       1.1
         118.0       1.2
         119.0       1.2
         123.0       1.0
         124.0       2.7
         125.0       8.7
         126.0       8.6
         127.0       3.6
         128.0       3.1
         129.0       1.6
         131.0       1.2
         132.0       1.5
         133.0      64.2
         134.0       5.0
         135.0      40.9
         136.0       3.1
         137.0       8.5
         139.0       1.0
         140.0       1.1
         141.0       2.7
         142.0       2.1
         143.0       7.3
         144.0      13.3
         145.0       8.1
         146.0       8.2
         147.0       3.3
         148.0       1.9
         149.0       2.3
         151.0       1.6
         152.0       1.3
         153.0       6.0
         154.0       2.0
         155.0       2.2
         159.0       1.5
         160.0       5.1
         161.0       8.0
         162.0       5.0
         163.0       5.4
         164.0       1.9
         165.0       1.5
         169.0       3.0
         170.0       5.7
         171.0       6.6
         172.0       6.7
         173.0       6.5
         174.0       4.0
         175.0       3.3
         176.0       1.6
         177.0       2.2
         178.0       1.6
         179.0       1.2
         186.0       2.9
         187.0       3.3
         188.0       4.7
         189.0      60.4
         190.0       9.0
         191.0      39.0
         192.0       5.0
         193.0       7.0
         194.0       1.0
         205.0      50.2
         206.0     100.0
         207.0      40.6
         208.0      64.6
         209.0      11.8
         210.0      10.8
         211.0       1.7
         216.0       1.0
         225.0       1.2
         234.0       6.1
         235.0       1.4
         236.0       2.3
         237.0       1.8
         252.0      10.8
         253.0      41.1
         254.0      11.0
         255.0      28.9
         256.0       4.0
         257.0       5.9
         268.0       1.0
         269.0      98.6
         270.0      10.0
         271.0      68.8
         272.0       6.4
         273.0      13.5
         274.0       1.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H5 Cl2 N O4 S 0.040 g : 0.5ml DMSO-d6
    2,4-dichloro-5-sulfamoylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14.0 B 8.397 C 7.990 D 7.87

         Hz     ppm     Int.
    

       5589.97  13.988     35
       3355.91   8.398    928
       3193.51   7.991   1000
       3147.35   7.876    803
    

in DMSO-d6

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KBr disc

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