氫氯噻嗪(58-93-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:氫氯噻嗪

CAS:58-93-5

分子式:C7H8ClN3O4S2

分子量: 297.74

InChI:InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

Smiles:S1(=O)(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCN1

Mass

MS2009-03992CW      
6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
C7H8ClN3O4S2        (Mass of molecular ion:    297)

   Source Temperature: 250 °C
   Sample Temperature: 260 °C
   Direct, 70 eV

      18.0       3.5
      28.0       6.3
      30.0       5.2
      36.0       1.7
      39.0       1.1
      48.0       1.6
      50.0       1.4
      51.0       1.6
      52.0       5.7
      53.0       1.0
      61.0       2.4
      62.0       8.2
      63.0       7.0
      64.0       4.8
      65.0       2.0
      69.0       1.0
      73.0       2.8
      74.0       2.0
      75.0       2.5
      76.0       3.5
      77.0       1.3
      78.0       4.7
      79.0       1.1
      85.0       1.0
      87.0       1.4
      88.0       4.9
      89.0       6.0
      90.0       7.4
      91.0       1.7
      93.0       1.1
      97.0       8.7
      98.0       2.9
      99.0       4.3
     100.0       1.3
     101.0       1.1
     102.0       1.0
     105.0       4.4
     106.0       2.7
     108.0       1.3
     109.0       1.5
     110.0       1.6
     111.0       1.6
     112.0       3.1
     113.0       3.1
     114.0       4.4
     115.0       1.3
     116.0       1.4
     117.0       4.5
     118.0       1.2
     123.0       1.6
     124.0      12.3
     125.0      10.3
     126.0       5.7
     127.0       3.6
     128.0       1.1
     129.0       1.8
     130.0       1.4
     132.0       1.3
     139.0       2.2
     140.0       7.1
     141.0       3.4
     142.0       5.3
     143.0       1.7
     144.0       1.8
     152.0       3.1
     153.0       1.3
     154.0       2.5
     155.0       3.0
     156.0       5.6
     157.0       6.3
     158.0       6.2
     159.0       2.3
     160.0       2.2
     170.0       1.1
     171.0       1.9
     172.0       1.9
     173.0       2.0
     182.0       1.1
     187.0       1.9
     188.0       9.5
     189.0       3.1
     190.0       4.6
     191.0       1.0
     203.0       1.0
     204.0       2.9
     205.0      41.0
     206.0       7.0
     207.0      15.1
     208.0       2.3
     215.0       1.1
     216.0       3.4
     217.0       1.9
     218.0       1.9
     219.0       2.5
     221.0      31.9
     222.0       3.0
     223.0      11.6
     224.0       1.1
     232.0       8.8
     233.0       3.0
     234.0       3.9
     235.0       3.3
     236.0       1.3
     251.0       1.1
     253.0       1.6
     268.0      14.8
     269.0     100.0
     270.0      14.7
     271.0      40.7
     272.0       4.0
     273.0       3.4
     281.0       2.0
     283.0       4.3
     285.0      22.4
     286.0       2.2
     287.0       8.8
     296.0       1.0
     297.0      46.2
     298.0       5.3
     299.0      20.2
     300.0       2.2
     301.0       2.1
     309.0       1.2
     311.0       3.3
     313.0       1.2

in DMSO-d6