ChemicalBook
English   Japanese   Germany   Korea

110-02-1

噻吩(110-02-1)质谱(MS)

产品名称:噻吩

CAS:110-02-1

分子式:C4H4S

分子量: 84.14

InChI:InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H

InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N

Smiles:C1SC=CC=1

  • 图谱
    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

  • 图谱

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

  • 图谱

    1H NMR 300 MHz
    C4 H4 S in TMS
    thiophene
    ChemicalStructure
        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

  • 图谱

liquid film

  • 图谱

  • 图谱

×