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622-76-4

1-苯基-1-丁炔(622-76-4)Raman光谱

产品名称:1-苯基-1-丁炔

CAS:622-76-4

分子式:C10H10

分子量: 130.19

InChI:InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3

InChIKey: FFFMSANAQQVUJA-UHFFFAOYSA-N

Smiles:C1(C#CCC)=CC=CC=C1

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    Mass

    MS-IW-3677          
    1-phenyl-1-butyne
    C10H10              (Mass of molecular ion:    130)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.4
          39.0       5.0
          50.0       4.6
          51.0      10.5
          52.0       2.2
          61.0       1.4
          62.0       3.9
          63.0      11.2
          63.5       1.3
          64.0       8.3
          64.5       1.4
          65.0       4.8
          74.0       4.3
          75.0       4.5
          76.0       3.2
          77.0       7.1
          78.0       2.2
          86.0       1.7
          87.0       2.6
          88.0       2.0
          89.0       7.5
          91.0       1.7
          98.0       1.2
         101.0       1.4
         102.0       6.7
         103.0       2.4
         113.0       2.3
         114.0       2.9
         115.0     100.0
         116.0      10.5
         126.0       2.6
         127.0      14.2
         128.0      30.9
         129.0      61.1
         130.0      81.5
         131.0       8.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H10 0.05 ml : 0.5 ml CDCl3
    1-phenyl-1-butyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.388 B 7.27 to 7.20 C 2.389 D 1.212

         Hz     ppm     Int.
    

       2958.50   7.403    192
       2956.18   7.397    149
       2955.32   7.395    150
       2954.22   7.393    105
       2953.37   7.390    106
       2950.56   7.383    277
       2948.73   7.379    276
       2946.78   7.374     41
       2945.92   7.372     50
       2906.01   7.272     48
       2905.27   7.270     33
       2904.17   7.267     34
       2901.73   7.261     84
       2900.15   7.257     77
       2897.22   7.250    216
       2896.61   7.248    252
       2896.00   7.247    183
       2894.90   7.244    165
       2893.55   7.241    169
       2890.87   7.234    451
       2889.40   7.230    447
       2886.47   7.223    125
       2885.86   7.221     96
       2884.40   7.218     72
        966.55   2.419    145
        958.98   2.400    434
        951.42   2.381    446
        943.97   2.362    172
        491.94   1.231    573
        484.38   1.213   1000
        481.20   1.205     45
        476.93   1.194    597
    

in CDCl3

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liquid film

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