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返回ChemicalBook首页>CAS数据库列表>32749-94-3更多图谱> 2,3-二甲基戊醛(32749-94-3)红外图谱(IR1)

32749-94-3

2,3-二甲基戊醛(32749-94-3)红外图谱(IR1)

分子式:C7H14O

分子量: 114.19

InChI:InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3

InChIKey: BOHKXQAJUVXBDQ-UHFFFAOYSA-N

Smiles:C(=O)C(C)C(C)CC

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    Mass

    MS-NW-8893          
    2,3-dimethylvaleraldehyde
    C7H14O              (Mass of molecular ion:    114)
    

       Source Temperature: 270 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0       9.8
          28.0       3.4
          29.0      25.0
          30.0       2.7
          39.0       6.9
          40.0       1.2
          41.0      31.1
          42.0       1.9
          43.0      70.9
          44.0       2.4
          45.0       1.2
          53.0       1.9
          55.0       7.2
          56.0       7.9
          57.0      31.8
          58.0     100.0
          59.0       4.3
          69.0       1.5
          70.0       1.5
          74.0       2.5
          85.0       9.9
          91.0       1.3
          97.0       1.5
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H14 O 0.04 ml : 0.5 ml CDCl3
    2,3-dimethylvaleraldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 9.687 B *1 9.659 C *2 2.36 D *2 2.30 E *3 1.93 F *3 1.83 G *4 1.41 J *4 1.33 K *4 1.22 L *5 1.047 M *6 1.00 N *5 0.98 P *7 0.931 Q *7 0.905 R *6 0.837 J(A,C)=2.0HZ. J(B,D)=1.6HZ. OPTICAL DIASTEREOMER

         Hz     ppm     Int.
    

       3872.51   9.690    212
       3870.49   9.685    240
       3861.15   9.662    226
       3859.50   9.658    232
        952.47   2.384     38
        951.00   2.380     37
        947.70   2.372     39
        946.24   2.368     43
        945.51   2.366     45
        944.04   2.363     38
        940.74   2.354     40
        939.28   2.351     40
        926.82   2.320     40
        924.99   2.315     33
        921.69   2.307     37
        919.86   2.302     62
        918.03   2.298     34
        914.73   2.289     35
        912.72   2.284     42
        771.68   1.931     33
        572.58   1.433     50
        571.30   1.430     36
        565.25   1.415     78
        563.60   1.411     41
        559.02   1.399     62
        557.74   1.396     64
        555.91   1.391     37
        551.51   1.380     62
        534.85   1.339     43
        527.34   1.320     59
        520.19   1.302     41
        519.64   1.301     45
        513.78   1.286     34
        503.52   1.260     31
        496.01   1.242     35
        494.55   1.238     32
        487.22   1.220     33
        422.02   1.056    553
        414.87   1.039    518
        412.67   1.033     33
        403.70   1.011     45
        401.87   1.006    734
        399.85   1.001     52
        399.12   0.999     42
        394.91   0.989   1000
        390.14   0.977     42
        387.95   0.971    444
        385.57   0.965     44
        384.28   0.962     32
        383.92   0.961     31
        383.18   0.959     32
        380.07   0.952    266
        376.96   0.944     32
        374.39   0.937     62
        372.74   0.933    545
        369.26   0.924    227
        365.23   0.914    246
        363.04   0.909     72
        361.75   0.906    468
        358.64   0.898     61
        357.36   0.895     68
        354.43   0.887    186
        351.86   0.881     37
        350.58   0.878     54
        342.52   0.858     35
        339.96   0.851     39
        337.94   0.846    616
        335.74   0.841     47
        333.91   0.836     38
        333.36   0.835     37
        331.17   0.829    568
    

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    1H NMR 89.56 MHz
    C7 H14 O 0.04 ml : 0.5 ml CDCl3
    2,3-dimethylvaleraldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 9.68 B *1 9.66 C *2 2.37 D *2 2.30 E *3 1.92 F *3 1.85 G 1.57 to 1.07 J *4 1.04 K *4 1.00 L *5 0.99 M *5 0.84 N 1.06 to 0.72 OPTICAL DIASTEREOMER

         Hz     ppm     Int.
    

        868.43   9.697    327
        866.46   9.675    389
        865.80   9.668    293
        864.26   9.651    296
        218.55   2.441     37
        218.04   2.435     40
        216.72   2.420     30
        213.35   2.383     62
        212.92   2.378     62
        211.67   2.364     71
        210.94   2.356     57
        210.06   2.346     31
        209.55   2.340     35
        208.30   2.326     34
        207.64   2.319     47
        206.47   2.306     90
        206.32   2.304     90
        205.88   2.299     82
        204.64   2.285     63
        203.91   2.277     39
        202.59   2.263     53
        201.34   2.249     32
        200.76   2.242     41
        199.51   2.228     51
        198.78   2.220     45
        179.00   1.999     32
        178.27   1.991     34
        173.58   1.939     35
        173.14   1.934     37
        172.49   1.926     50
        171.61   1.917     50
        170.43   1.903     33
        167.87   1.875     34
        166.55   1.860     44
        165.82   1.852     46
        164.94   1.842     48
        163.18   1.823     32
        161.28   1.801     33
        160.55   1.793     30
        159.81   1.785     36
        158.57   1.771     32
        158.13   1.766     35
        134.47   1.502     35
        132.42   1.479     37
        130.15   1.454     72
        128.54   1.436     72
        127.00   1.419     93
        124.95   1.396     51
        124.15   1.387     67
        123.34   1.378     55
        122.31   1.366    119
        121.73   1.360    115
        120.48   1.346    122
        119.31   1.333     69
        116.46   1.301    133
        115.50   1.290     95
        114.77   1.282    131
        114.40   1.278    122
        113.09   1.263     72
        112.72   1.259     80
        110.08   1.230     62
        108.76   1.215     79
        106.93   1.194     76
        106.42   1.189     69
        103.13   1.152     38
        101.29   1.131     61
        100.78   1.126     71
         99.17   1.108     50
         97.27   1.087    670
         96.09   1.073     78
         94.41   1.055     57
         92.80   1.037    844
         90.67   1.013   1000
         89.58   1.001    345
         88.77   0.992    282
         88.33   0.987    221
         87.89   0.982    235
         87.45   0.977    268
         85.84   0.959    748
         84.16   0.940    572
         83.28   0.930    413
         82.76   0.925    371
         82.40   0.921    295
         81.74   0.913    230
         81.01   0.905    292
         80.64   0.901    265
         79.98   0.894    301
         78.44   0.876    746
         77.12   0.862    130
         76.68   0.857    110
         75.81   0.847    154
         74.78   0.835     92
         73.46   0.821    156
         72.95   0.815    121
         71.70   0.801    622
    

liquid film

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4880 A,200 M,liquid

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