3-Thiophenezoic acid(88-13-1) ¹H NMR

Product Name3-Thiophenezoic acid

CAS 88-13-1

Molecular FormulaC5H4O2S

Molecular Weight128.15

InChIInChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

InChIKey YNVOMSDITJMNET-UHFFFAOYSA-N

SmilesC1SC=CC=1C(O)=O

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3-Thiophenezoic acid(88-13-1) <sup>1</sup>H NMR
Mass

MS-NW-3448          
3-thiophenecarboxylic acid
C5H4O2S             (Mass of molecular ion:    128)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.0
      28.0       1.2
      37.0       3.2
      38.0       5.1
      39.0      28.6
      40.0       1.2
      44.0       2.4
      45.0      15.1
      49.0       1.5
      50.0       4.5
      51.0       1.3
      53.0       1.4
      55.0       1.0
      55.5       1.4
      56.0       1.0
      57.0       5.5
      58.0       4.4
      69.0       1.3
      71.0       1.1
      81.0       4.0
      82.0       5.2
      83.0      17.3
      84.0       3.0
      85.0       1.0
     100.0       1.0
     111.0     100.0
     112.0       6.4
     113.0       5.0
     128.0      80.6
     129.0       5.4
     130.0       4.2

90 MHz in CDCl3

3-Thiophenezoic acid(88-13-1) <sup>1</sup>H NMR

¹H NMR	89.56 MHz
C₅ H₄ O₂ S	0.035 g : 0.5 ml CDCl₃
3-thiophenecarboxylic acid

    Assign.     Shift(ppm)

      A            12.08
      B             8.243
      C             7.574
      D             7.340
     
     J(B,D)=3.0HZ. J(B,C)=1.2HZ J(C,D)=5.1HZ.

     Hz     ppm     Int.

   1081.62  12.078    118
    740.50   8.269    750
    739.31   8.255    855
    737.51   8.235    843
    736.23   8.221    830
    682.06   7.616    634
    680.86   7.603    627
    677.01   7.560    942
    675.73   7.546    978
    660.95   7.380   1000
    657.87   7.346    883
    655.82   7.323    662
    652.83   7.290    608

in CDCl3