ChemicalBook
English   Japanese   Germany   Korea

2-溴噻吩(1003-09-4)质谱(MS)

产品名称:2-溴噻吩

CAS:1003-09-4

分子式:C4H3BrS

分子量: 163.04

InChI:InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H

InChIKey: TUCRZHGAIRVWTI-UHFFFAOYSA-N

Smiles:C1(Br)SC=CC=1


  • Mass

    MS-NW-1138          
    2-bromothiophene
    C4H3BrS             (Mass of molecular ion:    162)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.0
          26.0       1.6
          36.0       1.0
          37.0       6.6
          38.0      10.6
          39.0      52.5
          40.0       1.7
          41.0       1.0
          44.0       3.0
          45.0      23.8
          47.0       1.0
          49.0       2.7
          50.0       4.3
          56.0       1.8
          57.0      18.8
          58.0       9.4
          59.0       1.0
          69.0       2.6
          79.0       1.5
          80.0       1.1
          81.0       8.3
          82.0       8.8
          83.0      64.0
          84.0       3.8
          85.0       2.8
         117.0       4.0
         119.0       3.7
         123.0       1.4
         125.0       1.5
         136.0       2.1
         138.0       2.0
         162.0      96.7
         163.0       5.0
         164.0     100.0
         165.0       5.3
         166.0       4.2
    

90 MHz in CDCl3

parameter in CS2

parameter in TMS


  • 1H NMR 89.56 MHz
    C4 H3 Br S 0.02 ml : 0.5 ml CDCl3
    2-bromothiophene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.209 B 7.037 C 6.859

         Hz     ppm     Int.
    

        649.63   7.254    556
        648.19   7.238    758
        644.13   7.193    738
        642.69   7.177    921
        640.69   7.154     36
        633.13   7.070    569
        631.69   7.054    596
        629.44   7.029    981
        628.00   7.013    755
        618.00   6.901   1000
        616.38   6.883     39
        614.31   6.860    624
        612.50   6.839    718
        608.81   6.798    487
    


  • 1H NMR 300 MHz
    C4 H3 Br S 50 vol% in CS2
    2-bromothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.888 D(B) 6.700 D(C) 7.031 J(A,B) 3.72 J(A,C) 1.37 J(B,C) 5.63 JAKOBSEN,H.J. & NIELSEN,J.A. J.MAGN.RESON. 1, 393 (1969)

         Hz     ppm     Int.
    

       2112.89   7.043    817
       2111.52   7.038    865
       2107.27   7.024    914
       2105.90   7.020    966
       2069.00   6.897    855
       2067.63   6.892    839
       2065.28   6.884   1000
       2063.91   6.880    920
       2014.53   6.715    945
       2010.81   6.703    857
       2008.92   6.696    871
       2005.19   6.684    743
    


  • 1H NMR 300 MHz
    C4 H3 Br S in TMS
    2-bromothiophene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.927 D(B) 6.728 D(C) 7.052 J(A,B) 3.68 J(A,C) 1.39 J(B,C) 5.63 READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965) J(A,C-13):172.49HZ. J(B,C-13):169.91HZ. J(C,C-13):188.11HZ.

         Hz     ppm     Int.
    

       2119.20   7.064    811
       2117.81   7.059    866
       2113.58   7.045    909
       2112.19   7.041    970
       2080.68   6.936    861
       2079.29   6.931    839
       2077.00   6.923   1000
       2075.61   6.919    911
       2022.91   6.743    942
       2019.23   6.731    860
       2017.30   6.724    865
       2013.61   6.712    745
    

in CDCl3



liquid film



×