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123-72-8

正丁醛(123-72-8)核磁图(13CNMR)

产品名称:正丁醛

CAS:123-72-8

分子式:C4H8O

分子量: 72.11

InChI:InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

Smiles:C(=O)CCC

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    Mass

    MS2017-05407CM      
    butyraldehyde
    C4H8O               (Mass of molecular ion:     72)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          14.0       1.8
          15.0       3.9
          18.0       2.1
          26.0       6.1
          27.0      53.7
          28.0      14.1
          29.0      41.2
          31.0       1.9
          37.0       2.9
          38.0       5.2
          39.0      27.6
          40.0       3.6
          41.0      70.0
          42.0       9.1
          43.0      74.4
          44.0     100.0
          45.0       3.0
          50.0       1.4
          53.0       1.6
          54.0       3.5
          55.0       2.2
          57.0      31.5
          58.0       1.1
          71.0       8.9
          72.0      92.8
          73.0       5.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H8 O 0.04 ml : 0.5 ml CDCl3
    butyraldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.764 B 2.37 C 1.64 D 0.97

         Hz     ppm     Int.
    

        876.34   9.785    203
        874.51   9.765    396
        872.68   9.745    208
        224.85   2.511    107
        223.97   2.501    126
        223.02   2.491    113
        222.14   2.481    124
        217.02   2.424    305
        216.14   2.414    291
        215.70   2.409    214
        215.11   2.402    264
        210.42   2.350    228
        209.77   2.343    388
        209.18   2.336    304
        208.67   2.330    356
        207.93   2.322    233
        202.59   2.263    228
        201.78   2.254    275
        168.02   1.877     70
        161.50   1.804    137
        160.47   1.792    195
        154.54   1.726    166
        153.52   1.715    380
        152.56   1.704    249
        148.61   1.660     60
        147.51   1.648    134
        147.00   1.642    200
        146.56   1.637    263
        145.39   1.624    330
        140.92   1.574     64
        140.04   1.564    103
        138.65   1.549    237
        132.28   1.477     75
        131.76   1.472    107
         95.00   1.061    209
         94.26   1.053    480
         93.60   1.046    606
         93.02   1.039    318
         90.31   1.009     59
         88.92   0.993    100
         87.38   0.976    635
         86.72   0.969   1000
         86.13   0.962    639
         82.25   0.919     84
         80.57   0.900    153
         79.76   0.891    331
         79.10   0.884    335
         78.00   0.871    184
    

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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