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Thiophene

Product Name Thiophene

CAS110-02-1

MFC4H4S

MW84.14

¹³CNMR

Mass

MS-NW-5068          
thiophene
C4H4S               (Mass of molecular ion:     84)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.7
      32.0       1.1
      37.0       3.1
      38.0       4.1
      39.0      19.7
      40.0       1.4
      41.0       1.3
      42.0       2.5
      44.0       1.5
      45.0      34.9
      47.0       1.7
      49.0       1.9
      50.0       4.0
      51.0       2.9
      57.0       8.0
      58.0      54.1
      59.0       2.2
      60.0       2.7
      69.0       5.9
      81.0       3.3
      82.0       2.5
      83.0       5.9
      84.0     100.0
      85.0       5.7
      86.0       4.9

90 MHz in CDCl3

parameter in TMS

¹H NMR	89.56 MHz
C₄ H₄ S	0.04 ml : 0.5 ml CDCl₃
thiophene

    Assign.     Shift(ppm)

      A             7.327
      B             7.116

     Hz     ppm     Int.

    663.63   7.410     27
    659.88   7.369    567
    658.94   7.358    236
    658.31   7.351    316
    657.38   7.341    415
    656.44   7.330    446
    655.00   7.314    443
    653.88   7.302   1000
    650.19   7.260     99
    643.38   7.184     92
    639.88   7.145    971
    639.19   7.138    413
    638.56   7.130    406
    637.13   7.115    436
    636.25   7.105    424
    635.25   7.094    300
    634.63   7.087    218
    633.88   7.078    602
    629.94   7.034     25

¹H NMR	300 MHz
C₄ H₄ S	in TMS
thiophene

    Parameter     ppm  Hz

      D(A)         7.182
      D(B)         6.993
       J(A,A')         2.84
       J(A,B)          4.90
       J(A,B')         1.04
       J(A',B)         1.04
       J(A',B')        4.90
       J(B,B')         3.50
     
     READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)

     Hz     ppm     Int.

   2161.61   7.205     38
   2157.67   7.192    810
   2156.32   7.188    390
   2155.28   7.184    495
   2154.23   7.181    504
   2152.99   7.177    434
   2151.75   7.172   1000
   2147.90   7.160     55
   2104.60   7.015     55
   2100.75   7.002    999
   2099.51   6.998    434
   2098.27   6.994    504
   2097.22   6.991    495
   2096.18   6.987    390
   2094.83   6.983    810
   2090.90   6.970     38

in CDCl3

liquid film

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