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121-30-2

精磺胺(121-30-2)红外图谱(IR2)

产品名称:精磺胺

CAS:121-30-2

分子式:C6H8ClN3O4S2

分子量: 285.73

InChI:InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

InChIKey: IHJCXVZDYSXXFT-UHFFFAOYSA-N

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

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    Mass

    MS-IW-8382          
    4-amino-6-chloro-1,3-benzenedisulfonamide
    C6H8ClN3O4S2        (Mass of molecular ion:    285)
    

       Source Temperature: 180 °C
       Sample Temperature: 260 °C
       Direct, 75 eV
    

          16.0       1.0
          17.0       5.3
          18.0      64.3
          26.0       1.9
          27.0       4.9
          28.0      21.5
          32.0       2.1
          33.0       1.0
          34.0       2.3
          36.0      10.3
          37.0       1.1
          38.0       4.3
          39.0       2.4
          41.0       2.2
          43.0       1.1
          44.0       3.4
          45.0       1.8
          46.0       7.2
          48.0       6.8
          49.0       1.4
          50.0       3.6
          51.0       6.0
          52.0      11.2
          53.0       2.4
          60.0       1.2
          61.0       2.9
          62.0       9.8
          63.0      14.1
          64.0      20.6
          65.0       5.2
          66.0       2.2
          67.0       1.3
          69.0       2.1
          70.0       1.1
          71.0       1.1
          73.0       3.0
          74.0       1.5
          75.0       4.0
          76.0       6.4
          77.0       4.0
          78.0      10.1
          79.0       2.0
          80.0       1.7
          82.0       1.0
          83.0       1.5
          85.0       1.2
          86.0       1.4
          87.0       2.0
          88.0       4.5
          89.0       8.7
          90.0       8.4
          91.0       1.5
          93.0       1.9
          94.0       1.5
          95.0       1.4
          96.0       1.4
          97.0       7.5
          98.0       4.7
          99.0       3.5
         100.0       2.1
         101.0       1.6
         102.0       1.6
         103.0       1.4
         104.0       1.3
         105.0      11.9
         106.0       3.5
         107.0       2.0
         108.0       2.0
         109.0       1.6
         110.0       1.3
         111.0       1.9
         112.0       4.4
         113.0       5.4
         114.0       7.9
         115.0       2.1
         116.0       2.1
         121.0       1.0
         122.0       1.4
         123.0       2.4
         124.0      15.3
         125.0       8.9
         126.0       5.9
         127.0       3.3
         128.0       1.1
         129.0       2.3
         130.0       2.2
         131.0       1.0
         132.0       1.8
         134.0       1.0
         138.0       1.1
         139.0       3.5
         140.0      14.6
         141.0       7.6
         142.0      13.4
         143.0       3.6
         144.0       4.0
         145.0       1.0
         155.0       2.4
         156.0       5.1
         157.0       5.2
         158.0       5.1
         159.0       2.5
         160.0       2.9
         170.0       4.5
         171.0       1.0
         172.0       2.6
         185.0       1.6
         187.0       5.5
         188.0      15.6
         189.0       3.5
         190.0       6.6
         196.0       3.3
         204.0       9.8
         205.0      18.3
         206.0       5.8
         207.0       6.7
         208.0       1.1
         221.0      28.9
         222.0       4.7
         223.0      10.5
         224.0       1.8
         231.0       1.2
         236.0       1.4
         251.0       4.2
         252.0       1.7
         253.0       2.9
         268.0      82.1
         269.0      34.1
         270.0      36.6
         271.0      14.4
         272.0       3.5
         273.0       1.2
         285.0     100.0
         286.0       9.7
         287.0      43.6
         288.0       4.2
         289.0       3.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H8 Cl N3 O4 S2 0.036 g : 0.5 ml DMSO-d6
    4-amino-6-chloro-1,3-benzenedisulfonamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.168 B *1 7.52 C *1 7.36 D 6.984 E *1 6.62

         Hz     ppm     Int.
    

       3264.89   8.170   1000
       3005.74   7.521    641
       2939.45   7.356    644
       2791.14   6.984    900
       2656.74   6.648     26
       2645.26   6.619    230
    

in DMSO-d6

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KBr disc

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nujol mull

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