3-(METHYLTHIO)ANILINE(1783-81-9) ¹³C NMR

Product Name3-(METHYLTHIO)ANILINE

CAS 1783-81-9

Molecular FormulaC7H9NS

Molecular Weight139.22

InChIInChI=1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3

InChIKey KCHLDNLIJVSRPK-UHFFFAOYSA-N

SmilesC1(N)=CC=CC(SC)=C1

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Mass

MS-NW-8375          
m-(methylthio)aniline
C7H9NS              (Mass of molecular ion:    139)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      28.0       3.1
      38.0       2.3
      39.0       8.1
      41.0       2.2
      42.0       1.0
      45.0       4.9
      50.0       1.1
      51.0       1.7
      52.0       3.1
      53.0       4.7
      54.0       1.6
      61.5       1.1
      62.0       1.8
      63.0       4.9
      64.0       2.9
      65.0      10.7
      66.0       6.5
      67.0       2.2
      69.0       2.3
      69.5       1.5
      70.0       1.6
      77.0       3.1
      78.0       1.9
      79.0       3.7
      80.0      30.2
      81.0       2.1
      90.0       1.2
      91.0       2.5
      92.0       3.3
      93.0      13.6
      94.0       9.7
      95.0       1.4
      96.0       2.4
      97.0       4.9
     104.0       1.1
     106.0      81.1
     107.0       6.9
     111.0       2.9
     123.0       1.5
     124.0       6.1
     138.0       1.8
     139.0     100.0
     140.0       9.1
     141.0       4.8
     153.0       1.1