30931-67-0

2,2-连氮基-双-(3-乙基苯并二氢噻唑啉-6-磺酸)二铵盐(30931-67-0)红外图谱(IR2)

分子式:C18H24N6O6S4

分子量: 548.68

InChI:InChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;

InChIKey: OHDRQQURAXLVGJ-AXMZSLBLSA-N

Smiles:C12C=CC(S(=O)(=O)O)=CC=1S/C(=N\N=C1/SC3C=C(S(=O)(=O)O)C=CC=3N/1CC)/N2CC.N.N

Mass

MS-NW-9272          
2,2'-azinobis(3-ethyl-2,3-dihydro-6-benzothiazolesulfonic acid) diammonium salt
C18H24N6O6S4        (Mass of molecular ion:    548)

   Source Temperature: 240 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      16.0       4.4
      17.0      11.9
      18.0      44.0
      26.0       2.3
      27.0       5.6
      28.0      11.8
      29.0       2.1
      32.0       2.5
      38.0       2.1
      39.0       4.9
      41.0       2.1
      42.0       1.2
      43.0       1.9
      44.0       5.8
      45.0       5.7
      48.0      18.6
      50.0       3.2
      51.0       4.6
      52.0       2.6
      53.0       1.2
      54.0       1.0
      55.0       1.2
      57.0       1.6
      58.0       3.2
      60.0       1.4
      62.0       1.7
      63.0       6.3
      64.0      46.8
      65.0       5.2
      66.0       1.9
      69.0      10.3
      70.0       2.6
      71.0       1.2
      75.0       3.4
      76.0       1.2
      77.0       1.9
      78.0       3.5
      79.0       2.0
      80.0       1.0
      81.0       1.7
      82.0       4.6
      90.0       2.3
      91.0       3.5
      92.0       1.1
      93.0       1.5
      95.0       2.5
      96.0      22.0
      97.0       2.0
      98.0       1.1
     105.0       4.3
     106.0       3.3
     107.0       1.4
     108.0      10.9
     109.0      11.5
     110.0       1.6
     117.0       1.6
     118.0       5.9
     119.0       1.0
     121.0       1.3
     122.0       8.3
     123.0      31.4
     124.0       3.6
     125.0       1.5
     134.0       3.6
     135.0       7.4
     136.0      13.0
     137.0       1.6
     148.0       1.0
     149.0       4.4
     150.0     100.0
     151.0      11.7
     152.0       5.7
     161.0       2.6
     162.0       1.8
     163.0       6.4
     175.0       1.9
     177.0       5.9
     178.0      17.7
     179.0       3.2
     180.0       1.0
     191.0       1.0
     205.0       1.1
     269.0       2.8
     283.0       2.0
     311.0       1.7
     325.0       1.0
     326.0       1.7
     354.0       6.7
     355.0       1.4