623-13-2

(4-Methylthio)toluene(623-13-2) MS

Product Name(4-Methylthio)toluene

CAS 623-13-2

Molecular FormulaC8H10S

Molecular Weight138.23

InChIInChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

InChIKey VHILIAIEEYLJNA-UHFFFAOYSA-N

SmilesC1(C)=CC=C(SC)C=C1

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(4-Methylthio)toluene(623-13-2) MS
Mass

MS-NW-7790          
methyl p-tolyl sulfide
C8H10S              (Mass of molecular ion:    138)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.6
      27.0       2.2
      38.0       1.7
      39.0      10.3
      41.0       1.5
      45.0      22.4
      46.0       1.2
      47.0       1.5
      50.0       3.1
      51.0       5.2
      52.0       1.6
      53.0       2.0
      61.0       1.0
      62.0       2.3
      63.0       6.1
      64.0       1.3
      65.0       7.6
      69.0       4.4
      70.0       1.3
      71.0       1.4
      77.0       8.8
      78.0       4.5
      79.0      11.6
      82.0       1.1
      89.0       3.5
      90.0       1.2
      91.0      53.7
      92.0      10.2
      93.0       1.6
      95.0       1.0
      97.0       1.9
     105.0       4.8
     108.0       1.8
     121.0       6.1
     122.0       4.1
     123.0      27.3
     124.0       2.6
     125.0       1.2
     137.0      11.7
     138.0     100.0
     139.0      10.4
     140.0       5.0

90 MHz in CDCl3

(4-Methylthio)toluene(623-13-2) MS

¹H NMR	89.56 MHz
C₈ H₁₀ S	0.05 ml : 0.5 ml CDCl₃
methyl p-tolyl sulfide

    Assign.     Shift(ppm)

      A     *1      7.13
      B     *1      7.07
      C             2.408
      D             2.274

     Hz     ppm     Int.

    646.25   7.216     62
    643.69   7.188     44
    640.31   7.150     92
    637.63   7.120    425
    634.75   7.088    356
    628.75   7.021     57
    628.25   7.015     58
    626.19   6.992     71
    215.75   2.410   1000
    203.75   2.276    689

in CDCl3