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34722-01-5

3-丁基噻吩(34722-01-5)核磁图(13CNMR)

产品名称:3-丁基噻吩

CAS:34722-01-5

分子式:C8H12S

分子量: 140.25

InChI:InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3

InChIKey: KPOCSQCZXMATFR-UHFFFAOYSA-N

Smiles:C1SC=CC=1CCCC

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    Mass

    MS-IW-3598          
    3-butylthiophene
    C8H12S              (Mass of molecular ion:    140)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       4.0
          29.0       1.4
          39.0       6.3
          41.0       3.0
          45.0      12.4
          50.0       1.0
          51.0       2.2
          53.0       6.4
          58.0       1.8
          63.0       1.0
          65.0       1.8
          67.0       1.6
          69.0       2.1
          71.0       1.7
          77.0       2.7
          78.0       1.1
          84.0       2.7
          85.0       2.0
          97.0     100.0
          98.0      82.2
          99.0       9.7
         100.0       3.8
         109.0       1.0
         110.0       1.1
         111.0       9.0
         112.0       1.3
         140.0      25.5
         141.0       2.5
         142.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H12 S 0.05 ml : 0.5 ml CDCl3
    3-butylthiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.183 B 6.904 C 6.876 D 2.607 E 1.590 F 1.346 G 0.917

         Hz     ppm     Int.
    

       2874.76   7.194    218
       2871.83   7.186    232
       2869.87   7.181    236
       2866.82   7.174    240
       2762.33   6.912    229
       2760.99   6.909    272
       2757.32   6.900    209
       2756.10   6.897    251
       2750.73   6.883    128
       2749.76   6.881    238
       2748.54   6.878    228
       2747.68   6.876    200
       2746.83   6.874    243
       2745.61   6.871    211
       2744.63   6.868    115
       1049.93   2.628    221
       1042.36   2.609    307
       1034.30   2.589    234
        650.88   1.629     95
        644.78   1.614    101
        643.55   1.611    188
        641.36   1.605    100
        637.45   1.596    126
        635.62   1.591    268
        633.18   1.585    100
        630.49   1.578     48
        629.27   1.575    145
        628.05   1.572    209
        625.98   1.567     99
        620.48   1.553    115
        556.40   1.393     61
        548.95   1.374    178
        541.38   1.355    244
        536.25   1.342     78
        533.81   1.336    247
        526.49   1.318    165
        519.29   1.300     57
        373.78   0.936    589
        366.46   0.917   1000
        359.13   0.899    500
    

in CDCl3

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liquid film

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