Bensultap(17606-31-4) IR1

Molecular FormulaC17H21NO4S4

Molecular Weight431.61

InChIInChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3

InChIKey YFXPPSKYMBTNAV-UHFFFAOYSA-N

SmilesC1(=CC=CC=C1)S(=O)(=O)SCC(N(C)C)CSS(=O)(=O)C1=CC=CC=C1

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Mass

MS2001-00733WA      
bensultap
C17H21NO4S4         (Mass of molecular ion:    431)

   Source Temperature: 210 °C
   Sample Temperature:  30 °C
   Direct, 70 eV

      27.0       1.1
      30.0       1.0
      39.0       2.8
      41.0       2.3
      42.0      15.6
      43.0       2.1
      44.0       5.5
      45.0       3.8
      46.0       1.2
      48.0       1.1
      50.0       3.5
      51.0      14.8
      52.0       1.1
      55.0       1.3
      56.0       8.2
      58.0      22.3
      59.0       2.0
      61.0       1.5
      65.0       1.8
      68.0       1.8
      69.0       1.1
      70.0      25.7
      71.0      12.7
      73.0       2.4
      74.0       1.2
      75.0       1.0
      76.0       4.5
      77.0      43.3
      78.0       7.3
      84.0       3.9
      86.0       1.0
      87.0       3.1
      88.0       2.5
      97.0       2.7
     100.0       1.5
     102.0     100.0
     103.0       8.6
     104.0       5.0
     105.0       3.2
     109.0       2.1
     114.0       1.1
     116.0       1.9
     125.0       4.2
     141.0       7.4
     142.0       1.9
     148.0       2.0
     149.0       3.0
     180.0       1.6
     212.0       1.1
     244.0      42.5
     245.0       5.6
     246.0       4.2
     290.0       1.3

in CDCl3