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63545-55-1

4-MERCAPTOHYDROCINNAMIC ACID

Product Name 4-MERCAPTOHYDROCINNAMIC ACID

CAS63545-55-1

MFC9H10O2S

MW182.24

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  • 63545-55-1_ms_1
    Mass

    MS-NW-9388          
    3-(p-mercaptophenyl)propionic acid
    C9H10O2S            (Mass of molecular ion:    182)
    

       Source Temperature: 180 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       3.0
          27.0       1.7
          28.0       1.0
          39.0       4.0
          45.0       9.5
          50.0       1.6
          51.0       3.8
          52.0       1.0
          53.0       1.1
          59.0       1.1
          63.0       2.8
          65.0       4.0
          66.0       1.0
          67.0       1.2
          68.0       1.2
          69.0       3.2
          70.0       1.6
          71.0       1.2
          77.0       9.3
          78.0       4.4
          79.0      10.2
          82.0       1.1
          89.0       1.8
          91.0       9.2
         102.0       1.9
         103.0       3.4
         104.0       2.9
         105.0       1.1
         107.0       6.9
         108.0       1.2
         109.0       1.6
         110.0       1.3
         121.0       4.4
         122.0       2.1
         123.0     100.0
         124.0       8.7
         125.0       5.0
         134.0       1.5
         135.0       9.7
         136.0       7.6
         137.0       2.1
         163.0       1.1
         181.0       1.0
         182.0      44.2
         183.0       4.9
         184.0       2.4
    

400 MHz in CDCl3

  • 63545-55-1_1hnmr_0

    1H NMR 399.65 MHz
    C9 H10 O2 S 0.021 g : 0.5 ml CDCl3
    3-(p-mercaptophenyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 7.208 C 7.080 D 3.406 E 2.896 F 2.645

         Hz     ppm     Int.
    

       2885.59   7.221    637
       2883.91   7.217    291
       2879.18   7.205    303
       2877.35   7.200    885
       2833.10   7.089    760
       2824.86   7.069    580
       1361.54   3.407   1000
       1170.81   2.930     27
       1165.16   2.916    317
       1157.68   2.897    632
       1149.90   2.878    418
       1072.69   2.685     23
       1064.30   2.664    533
       1059.27   2.651    133
       1056.37   2.644    865
       1049.04   2.625    391
    

in CDCl3

  • 63545-55-1_13cnmr_0

KBr disc

  • 63545-55-1_ir1_2

nujol mull

  • 63545-55-1_ir2_1