80-48-8

Methyl p-toluenesulfonate(80-48-8) ¹³C NMR

Product NameMethyl p-toluenesulfonate

CAS 80-48-8

Molecular FormulaC8H10O3S

Molecular Weight186.23

InChIInChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3

InChIKey VUQUOGPMUUJORT-UHFFFAOYSA-N

SmilesC1(S(OC)(=O)=O)=CC=C(C)C=C1

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Methyl p-toluenesulfonate(80-48-8) <sup>13</sup>C NMR
Mass

MS-NW-0746          
methyl p-toluenesulfonate
C8H10O3S            (Mass of molecular ion:    186)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.4
      18.0       3.5
      27.0       1.5
      28.0       5.4
      32.0       1.6
      38.0       1.3
      39.0      11.6
      41.0       3.5
      43.0       1.8
      50.0       3.4
      51.0       5.0
      52.0       1.4
      53.0       1.3
      62.0       2.4
      63.0       8.4
      64.0       2.3
      65.0      20.9
      66.0       1.2
      77.0       4.7
      78.0       1.1
      79.0       3.7
      89.0       7.4
      90.0       6.1
      91.0     100.0
      92.0      15.0
      93.0       1.0
     107.0      11.3
     108.0       1.3
     121.0       1.8
     122.0       4.9
     139.0       1.4
     155.0      40.7
     156.0       3.6
     157.0       2.0
     186.0      42.6
     187.0       4.2
     188.0       2.5