图谱信息 供应商 相关产品
网站主页CAS数据库列表 616-44-4更多图谱3-甲基噻吩(616-44-4)核磁图(13CNMR)

3-甲基噻吩

产品名称 3-甲基噻吩

CAS号616-44-4

分子式C5H6S

分子量98.17

展开


  • Mass

    MS-NW-4929          
    3-methylthiophene
    C5H6S               (Mass of molecular ion:     98)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.1
          27.0       5.9
          37.0       1.2
          38.0       2.0
          39.0       8.4
          45.0      17.1
          46.0       1.2
          47.0       1.2
          49.0       1.7
          50.0       2.5
          51.0       2.9
          52.0       1.4
          53.0      10.0
          54.0       1.0
          57.0       2.0
          58.0       3.8
          59.0       1.2
          63.0       1.2
          65.0       2.3
          69.0       4.0
          70.0       1.4
          71.0       4.2
          97.0     100.0
          98.0      60.1
          99.0       7.9
         100.0       2.9
    

parameter in TMS

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C5 H6 S in TMS
    3-methylthiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.750 D(B) 6.768 D(C) 7.048 D(D) 2.205 J(A,B) 1.28 J(A,C) 2.94 J(A,D) 1.06 J(B,C) 4.88 J(B,D) 0.40 J(C,D) 0.35 MATHIS,C.T. & GOLDSTEIN,J.H. J.PHYS.CHEM. 68, 571 (1964)

         Hz     ppm     Int.
    

       2118.39   7.061    124
       2115.47   7.052    144
       2113.59   7.045    145
       2110.62   7.035    147
       2032.37   6.775    182
       2027.52   6.758    289
       2026.53   6.755    223
       2025.36   6.751    159
       2024.60   6.749    161
       2023.52   6.745    157
       2022.40   6.741     99
        661.98   2.207    996
        661.04   2.203   1000
    


  • 1H NMR 89.56 MHz
    C5 H6 S 0.04 ml : 0.5 ml CDCl3
    3-methylthiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.165 B 6.87 C 6.86 D 2.254 B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        646.44   7.218     88
        646.13   7.215     93
        643.44   7.185     99
        642.81   7.178     71
        641.69   7.165    187
        640.56   7.153     59
        638.63   7.131    157
        638.31   7.128    163
        618.38   6.905     51
        617.06   6.890    272
        616.56   6.885    244
        616.13   6.880    259
        615.13   6.869    190
        614.13   6.858     94
        613.38   6.849    136
        612.63   6.841    269
        612.00   6.834    290
        611.25   6.826    128
        202.44   2.261    822
        201.81   2.254   1000
    

in CDCl3



liquid film