3724-10-5

2-(METHYLTHIO)BENZOIC ACID(3724-10-5) MS

Product Name2-(METHYLTHIO)BENZOIC ACID

CAS 3724-10-5

Molecular FormulaC8H8O2S

Molecular Weight168.21

InChIInChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=CC=C1SC

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IR1

IR2

2-(METHYLTHIO)BENZOIC ACID(3724-10-5) MS
Mass

MS-IW-2685          
o-(methylthio)benzoic acid
C8H8O2S             (Mass of molecular ion:    168)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      17.0       1.3
      18.0       6.5
      27.0       1.5
      37.0       1.5
      38.0       2.7
      39.0      11.0
      44.0       2.2
      45.0      28.2
      46.0       3.7
      47.0       4.2
      49.0       1.1
      50.0      10.6
      51.0      12.3
      52.0       3.4
      53.0       5.1
      57.0       1.0
      58.0       2.9
      61.0       2.4
      62.0       2.6
      63.0       7.5
      64.0       1.9
      65.0       9.4
      66.0       1.0
      69.0      13.4
      70.0       1.5
      71.0       1.7
      73.0       1.1
      74.0       4.9
      75.0       6.0
      76.0       6.6
      77.0      21.6
      78.0      25.3
      79.0      10.4
      81.0       2.6
      82.0       5.1
      84.0       1.6
      90.0       1.2
      91.0       5.5
      92.0       1.6
      93.0       1.3
      96.0       1.2
      97.0       8.0
     104.0       3.8
     105.0      20.0
     106.0       1.8
     107.0       1.7
     108.0      12.1
     109.0      10.0
     110.0       1.3
     121.0      39.3
     122.0      34.9
     123.0       8.3
     124.0       4.0
     125.0       2.3
     135.0      21.9
     136.0       4.3
     137.0       4.0
     149.0       3.3
     150.0      14.1
     151.0      13.1
     152.0       2.7
     153.0      37.4
     154.0       3.3
     155.0       2.0
     168.0     100.0
     169.0       9.6
     170.0       5.1

KBr disc