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13679-75-9

2-丙酰噻吩(13679-75-9)核磁图(13CNMR)

产品名称:2-丙酰噻吩

CAS:13679-75-9

分子式:C7H8OS

分子量: 140.2

InChI:InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3

InChIKey: MFPZQZZWAMAHOY-UHFFFAOYSA-N

Smiles:C(C1SC=CC=1)(=O)CC

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    Mass

    MS-IW-2216          
    1-(2-thienyl)-1-propanone
    C7H8OS              (Mass of molecular ion:    140)
    

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

          27.0       2.7
          28.0       1.1
          29.0       3.7
          38.0       1.1
          39.0      15.6
          45.0       2.8
          55.0       1.0
          57.0       2.9
          58.0       1.2
          82.0       1.4
          83.0       7.6
          84.0       1.1
         111.0     100.0
         112.0       6.5
         113.0       4.9
         140.0      24.8
         141.0       2.2
         142.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 O S 0.05 ml : 0.5 ml CDCl3
    1-(2-thienyl)-1-propanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.703 B 7.605 C 7.109 D 2.923 E 1.216 J(A,B)=1.2 Hz J(A,C)=3.8 Hz J(B,C)=5.0 Hz

         Hz     ppm     Int.
    

       3081.30   7.710    275
       3080.08   7.707    270
       3077.51   7.701    273
       3076.29   7.698    270
       3042.60   7.614    303
       3041.50   7.611    292
       3037.72   7.601    324
       3036.50   7.598    285
       2845.46   7.120    319
       2841.67   7.111    320
       2840.45   7.108    297
       2836.67   7.098    281
       1179.44   2.952    226
       1172.12   2.933    585
       1164.79   2.915    592
       1157.47   2.897    238
        493.29   1.235    664
        485.96   1.216   1000
        478.64   1.198    594
    

in CDCl3

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liquid film

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