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1795-01-3

3-乙基噻吩(1795-01-3)核磁图(1HNMR)

产品名称:3-乙基噻吩

CAS:1795-01-3

分子式:C6H8S

分子量: 112.19

InChI:InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3

InChIKey: SLDBAXYJAIRQMX-UHFFFAOYSA-N

Smiles:C1SC=CC=1CC

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    Mass

    MS-NW-6623          
    3-ethylthiophene
    C6H8S               (Mass of molecular ion:    112)
    

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

          27.0       3.5
          38.0       1.8
          39.0       7.6
          41.0       1.7
          45.0      15.0
          47.0       1.0
          50.0       2.1
          51.0       2.9
          53.0       6.0
          57.0       1.6
          58.0       3.1
          59.0       1.0
          63.0       1.2
          65.0       2.0
          67.0       2.0
          69.0       2.9
          70.0       1.0
          71.0       1.8
          77.0       3.7
          78.0       1.5
          81.0       1.0
          82.0       1.1
          84.0       3.8
          85.0       2.5
          97.0     100.0
          98.0       6.5
          99.0       4.7
         109.0       1.2
         111.0       8.4
         112.0      46.5
         113.0       4.0
         114.0       2.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H8 S 0.05 ml : 0.5 ml CDCl3
    3-ethylthiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.185 B 6.91 C 6.89 D 2.639 E 1.223 J(A,B)=4.9HZ J(A,C)=2.9HZ

         Hz     ppm     Int.
    

        647.88   7.235    137
        645.00   7.202    172
        643.00   7.180    209
        640.06   7.147    240
        622.31   6.949    179
        621.00   6.934    308
        619.25   6.915    182
        618.25   6.904    284
        616.94   6.889    300
        616.06   6.879    360
        614.38   6.860    160
        613.06   6.846     76
        247.75   2.767     86
        240.31   2.684    266
        237.19   2.649     38
        232.75   2.599    295
        225.19   2.515    115
        116.94   1.306    513
        109.56   1.224   1000
        101.88   1.138    398
    

in CDCl3

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liquid film

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