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网站主页CAS数据库列表 536-74-3更多图谱苯乙炔(536-74-3)核磁图(13CNMR)

苯乙炔

产品名称 苯乙炔

CAS号536-74-3

分子式C8H6

分子量102.13

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  • Mass

    MS-NW-3381          
    phenylacetylene
    C8H6                (Mass of molecular ion:    102)
    

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

          37.0       1.1
          38.0       1.1
          39.0       2.5
          49.0       1.2
          50.0       8.6
          51.0       7.8
          52.0       5.1
          61.0       1.4
          62.0       2.5
          63.0       5.5
          73.0       1.5
          74.0       7.8
          75.0       6.4
          76.0      19.0
          77.0       1.5
          87.0       1.3
          98.0       1.6
         101.0       2.3
         102.0     100.0
         103.0       9.3
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C8 H6 0.04 ml : 0.5 ml CDCl3
    phenylacetylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.48 B 7.40 to 7.21 C 3.057

         Hz     ppm     Int.
    

        676.25   7.551    154
        673.69   7.523    185
        671.88   7.503    115
        670.06   7.482    318
        669.06   7.471    176
        667.50   7.454    235
        666.31   7.440    410
        664.56   7.421    130
        663.88   7.413    112
        662.19   7.394    101
        661.69   7.389     85
        660.94   7.380    140
        660.13   7.371    168
        659.44   7.364    164
        657.19   7.338    902
        655.69   7.322    316
        654.63   7.310    625
        652.38   7.285    268
        651.13   7.271    204
        650.38   7.262    339
        648.50   7.241     53
        648.06   7.237     53
        646.81   7.223    134
        273.81   3.058   1000
    


  • 1H NMR 300 MHz
    C8 H6 0.13 M in CCl4
    phenylacetylene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.419 D(B) 7.226 D(C) 7.240 D(D) 2.929 J(A,A') 1.73 J(A,B) 7.77 J(A,B') 0.64 J(A,C) 1.32 J(A,D) 0.28 J(A',B) 0.64 J(A',B') 7.77 J(A',C) 1.32 J(A',D) 0.28 J(B,B') 1.32 J(B,C) 7.60 J(B,D) -0.11 J(B',C) 7.60 J(B',D) -0.11 J(C,D) 0.22 CASTELLANO,S. & LORENC,J. J.PHYS.CHEM. 69, 3552 (1965)

         Hz     ppm     Int.
    

       2235.52   7.452     15
       2234.17   7.447     30
       2230.92   7.436    282
       2228.73   7.429    355
       2225.31   7.418    338
       2224.51   7.415    306
       2223.41   7.411    211
       2222.15   7.407    232
       2221.09   7.404    376
       2218.94   7.396     76
       2216.20   7.387     30
       2180.35   7.268     19
       2176.47   7.255     77
       2174.83   7.249    122
       2172.30   7.241    865
       2170.15   7.234    768
       2166.98   7.223    442
       2165.34   7.218    411
       2163.69   7.212     89
       2162.55   7.208     67
       2161.33   7.204    104
       2157.66   7.192     22
       2156.78   7.189     22
       2155.72   7.186     25
        878.74   2.929   1000
    

in CDCl3



liquid film





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