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14618-78-1

4,4-二甲氧基丁腈(14618-78-1)红外图谱(IR1)

分子式:C6H11NO2

分子量: 129.16

InChI:InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3

InChIKey: XJHNCGVHPLDMRK-UHFFFAOYSA-N

Smiles:C(#N)CCC(OC)OC

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    Mass

    MS-NW-1025          
    3-cyanopropionaldehyde dimethyl acetal
    C6H11NO2            (Mass of molecular ion:    129)
    

       Source Temperature: 270 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0      12.4
          18.0       2.0
          26.0       2.8
          27.0       8.9
          28.0       9.5
          29.0      17.1
          30.0       3.0
          31.0      16.7
          32.0       4.1
          38.0       1.5
          39.0       5.1
          40.0       2.2
          41.0      15.7
          42.0      26.1
          43.0       4.9
          44.0       1.6
          45.0       8.0
          47.0      13.6
          51.0       1.1
          52.0       3.5
          53.0       1.4
          54.0       8.3
          55.0       4.8
          57.0       3.7
          58.0       7.0
          59.0       1.2
          66.0       2.7
          67.0       3.3
          68.0       7.0
          69.0       1.7
          70.0       5.3
          71.0       1.3
          75.0      82.7
          76.0       2.8
          82.0       4.3
          96.0       4.0
          97.0       8.2
          98.0     100.0
          99.0       6.1
         128.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H11 N O2 0.04 ml : 0.5 ml CDCl3
    3-cyanopropionaldehyde dimethyl acetal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.453 B 3.369 C 2.41 D 1.94

         Hz     ppm     Int.
    

        404.38   4.516     24
        399.00   4.456     50
        393.69   4.396     28
        301.69   3.369   1000
        299.25   3.342     24
        224.94   2.512     23
        218.06   2.435     31
        217.06   2.424     34
        216.38   2.417     61
        210.25   2.348     45
        209.31   2.338     46
        183.50   2.049     24
        182.50   2.038     27
        178.13   1.989     25
        177.31   1.980     27
        176.44   1.971     41
        175.56   1.961     22
        171.06   1.911     44
        169.31   1.891     25
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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