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2806-97-5

2-丁炔乙缩醛(2806-97-5)质谱(MS)

产品名称:2-丁炔乙缩醛

CAS:2806-97-5

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3

InChIKey: FKKVKKSEVMQYER-UHFFFAOYSA-N

Smiles:C(OCC)(OCC)C#CC

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    Mass

    MS-NW-7301          
    2-butyn-1-al diethyl acetal
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.0
          26.0       1.0
          27.0       6.1
          28.0       1.3
          29.0       9.4
          31.0       3.2
          38.0       1.4
          39.0      10.1
          40.0       1.7
          41.0      13.2
          43.0       5.3
          45.0       3.5
          47.0       1.4
          50.0       1.3
          51.0       2.2
          52.0       3.5
          53.0       1.0
          67.0       5.2
          68.0       2.6
          69.0      82.6
          70.0       4.3
          85.0       5.4
          97.0     100.0
          98.0       7.2
          99.0       1.0
         113.0       1.7
         141.0       2.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O2 0.05 ml : 0.5 ml CDCl3
    2-butyn-1-al diethyl acetal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.226 B *1 3.71 C *1 3.58 D 1.877 E 1.229 J(B,C)=-9.6HZ J(A,D)=1.8HZ

         Hz     ppm     Int.
    

        470.69   5.256     40
        468.94   5.237    107
        467.19   5.217    108
        465.31   5.196     41
        344.25   3.844     51
        342.00   3.819     61
        337.06   3.764     62
        334.81   3.739    164
        333.44   3.724     72
        330.00   3.685     40
        327.63   3.659    182
        326.38   3.645    174
        324.00   3.618     37
        320.50   3.579     91
        319.38   3.567    177
        316.94   3.539     64
        312.38   3.488     77
        309.88   3.461     66
        169.19   1.890    570
        167.38   1.869    568
        119.19   1.331     35
        117.06   1.308    502
        113.63   1.269     43
        110.00   1.229   1000
        107.75   1.204     79
        105.44   1.178     46
        102.94   1.150    407
    

in CDCl3

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liquid film

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