34722-01-5

3-丁基噻吩(34722-01-5)核磁图(¹HNMR)

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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₈ H₁₂ S	0.05 ml : 0.5 ml CDCl₃
3-butylthiophene

    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