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14282-76-9

2-溴-3-甲基噻吩(14282-76-9)核磁图(1HNMR)

产品名称:2-溴-3-甲基噻吩

CAS:14282-76-9

分子式:C5H5BrS

分子量: 177.06

InChI:InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3

InChIKey: YYJBWYBULYUKMR-UHFFFAOYSA-N

Smiles:C1(Br)SC=CC=1C

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    Mass

    MS-NW-3101          
    2-bromo-3-methylthiophene
    C5H5BrS             (Mass of molecular ion:    176)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.4
          27.0       4.8
          37.0       2.3
          38.0       3.0
          39.0       3.9
          44.0       1.2
          45.0      23.5
          47.0       1.9
          48.0       1.5
          49.0       1.2
          50.0       3.8
          51.0       5.8
          52.0       2.1
          53.0      17.8
          57.0       2.1
          58.0       1.8
          62.0       1.0
          63.0       1.5
          68.0       1.4
          69.0      12.1
          70.0       6.2
          71.0       3.5
          81.0       1.7
          82.0       1.8
          93.0       1.1
          95.0       2.8
          96.0       7.2
          97.0     100.0
          98.0       6.8
          99.0       4.6
         123.0       1.2
         125.0       1.2
         175.0      11.7
         176.0      47.0
         177.0      14.7
         178.0      47.0
         179.0       3.5
         180.0       2.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H5 Br S 0.05 ml : 0.5 ml CDCl3
    2-bromo-3-methylthiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.114 B 6.740 C 2.170

         Hz     ppm     Int.
    

        640.44   7.151    130
        634.81   7.089    176
        606.13   6.768    176
        600.56   6.706    128
        194.38   2.171   1000
    

in CDCl3

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liquid film

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