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Showing posts with label PTSA. Show all posts
Showing posts with label PTSA. Show all posts

Sunday 13 April 2014

PTSA


ChemSpider 2D Image | p-Toluenesulfonic acid  | C7H8O3S


para-toluenesulfonic acid
p-Methylbenzenesulfonic AciD


Molecular Formula: C7H8O3

Molecular Weight: 172.2 





IH NMR

1H NMR399.65 MHz
C7 H8 O3 S0.038 g : 0.5 ml DMSO-d6
p-toluenesulfonic acid

SPECTRUM
ChemicalStructure
    Assign.     Shift(ppm)

      A             7.530
      B             7.170
      C             6.57
      D             2.302


13C NMR22.53 MHz
C7 H8 O3 S0.038 g : 0.5 ml DMSO-d6
p-toluenesulfonic acid

SPECTRUM
ChemicalStructure
       ppm   Int.  Assign.

      144.20   166      1
      138.49   213      2
      128.25  1000      3
      125.45   962      4
       20.69   437      5
  
13C NMR25.16 MHz
C7H8O3S0.35 g : 1.5 ml D2O
p-toluenesulfonic acid

SPECTRUM
ChemicalStructure
       ppm   Int.  Assign.

       142.97   306     1
       140.97   188     2
       130.15  1000     3
       126.28   886     4
        21.25   232     5


Mass
p-toluenesulfonic acid
C7H8O3S H2O         (Mass of molecular ion:    172)
   Source Temperature: 240 °C
   Sample Temperature: 140 °C
   DIRECT, 75 eV
18.0       1.2
      27.0       2.3
      28.0       1.3
      38.0       1.9
      39.0      14.2
      40.0       1.2
      41.0       4.0
      50.0       3.9
      51.0       6.7
      52.0       2.0
      53.0       2.4
      62.0       3.0
      63.0       9.7
      64.0       3.0
      65.0      31.8
      66.0       1.9
      77.0      14.8
      78.0       2.1
      79.0      15.6
      80.0       3.5
      89.0      10.4
      90.0      10.8
      91.0     100.0
      92.0       8.5
     107.0      40.6
     108.0      27.8
     109.0       2.2
     155.0       4.7
     172.0      74.4
     173.0       6.4
     174.0       3.8

ir





SEE WHAT HAPPENS ON METHYLATION
EXTRA METHYL APPEARS


Shift (ppm)
145.2128.0
132.256..5
130.221.4





FIRST SIGNAL IS Ar- CH3
second one is -OCH3