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2032-35-1

溴代乙醛缩二乙醇(2032-35-1)Raman光谱

分子式:C6H13BrO2

分子量: 197.07

InChI:InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3

InChIKey: LILXDMFJXYAKMK-UHFFFAOYSA-N

Smiles:C(OCC)(OCC)CBr

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    Mass

    MS-NW-1223          
    bromoacetaldehyde diethyl acetal
    C6H13BrO2           (Mass of molecular ion:    196)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.4
          15.0      10.0
          18.0       1.3
          19.0       3.9
          26.0       2.7
          27.0      21.2
          28.0       4.9
          29.0      50.5
          30.0       1.2
          31.0       9.9
          41.0       1.5
          42.0       3.6
          43.0      23.0
          44.0       7.7
          45.0      12.4
          47.0      92.0
          48.0       1.0
          61.0       5.4
          71.0       1.0
          72.0       1.2
          75.0      36.7
          76.0       1.3
          89.0       3.9
          93.0       2.1
          94.0       1.5
          95.0       2.1
          96.0       1.3
         103.0     100.0
         104.0       5.8
         117.0       1.3
         121.0       1.3
         122.0       2.5
         123.0      50.5
         124.0       3.3
         125.0      47.7
         126.0       1.1
         137.0       1.0
         139.0       2.3
         141.0       1.2
         151.0      31.9
         152.0       1.9
         153.0      30.8
         154.0       1.4
    

90 MHz in CDCl3

parameter neat

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    1H NMR 89.56 MHz
    C6 H13 Br O2 0.04 ml : 0.5 ml CDCl3
    bromoacetaldehyde diethyl acetal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.667 B *1 3.70 C *1 3.59 D 3.371 E 1.239 THE VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

        423.69   4.731     69
        418.25   4.671    143
        412.81   4.610     84
        341.69   3.816     38
        339.50   3.791     61
        334.63   3.737     98
        332.31   3.711    175
        327.63   3.659    189
        325.19   3.631    196
        320.69   3.581    182
        318.19   3.553    107
        313.75   3.504     72
        311.31   3.476     41
        304.38   3.399    438
        298.94   3.338    359
        117.75   1.315    482
        110.75   1.237   1000
        103.69   1.158    419
    

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    1H NMR 300 MHz
    C6 H13 Br O2 neat
    bromoacetaldehyde diethyl acetal
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.171 D(B) *1 3.630 D(C) *1 3.521 J(A,B) 7.05 J(A,C) 7.05 J(B,C) -9.34 D(D) 4.617 D(E) 3.318 J(D,E) 5.52 RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)

         Hz     ppm     Int.
    

       1390.66   4.636     82
       1385.13   4.617    166
       1379.64   4.599     86
       1104.96   3.683     30
       1097.90   3.660     90
       1095.64   3.652     55
       1090.83   3.636     95
       1088.57   3.629    159
       1083.80   3.613     37
       1081.51   3.605    160
       1074.44   3.581     56
       1070.97   3.570     53
       1063.91   3.546    155
       1061.62   3.539     35
       1056.84   3.523    161
       1054.58   3.515     93
       1049.81   3.499     58
       1047.55   3.492     92
       1040.52   3.468     32
        998.15   3.327    339
        992.65   3.309    327
        358.31   1.194    504
        351.28   1.171   1000
        344.25   1.147    485
    

in CDCl3

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CCl4 solution

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liquid film

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