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78-92-2

仲丁醇(78-92-2)核磁图(13CNMR)

产品名称:仲丁醇

CAS:78-92-2

分子式:C4H10O

分子量: 74.12

InChI:InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N

Smiles:CC(O)CC

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    Mass

    MS2014-05098CW      
    2-butanol
    C4H10O              (Mass of molecular ion:     74)
    

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

          15.0       1.7
          19.0       1.3
          26.0       2.2
          27.0      10.4
          28.0       7.4
          29.0       5.5
          31.0      12.5
          32.0       2.0
          38.0       1.1
          39.0       7.4
          40.0       1.3
          41.0      19.6
          42.0       1.8
          43.0      12.2
          44.0       7.1
          45.0     100.0
          46.0       2.3
          50.0       1.6
          51.0       1.4
          53.0       1.8
          55.0       6.2
          56.0       7.8
          57.0       4.3
          59.0      29.6
          60.0       1.1
          73.0       2.6
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C4 H10 O 11.2 mol% in CDCl3
    2-butanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.173 B 3.709 C 1.46 D 0.93 E 2.37

         Hz     ppm     Int.
    

        341.69   3.816     70
        335.56   3.747    143
        329.44   3.679    151
        323.25   3.610     81
        212.06   2.368    845
        141.69   1.583     40
        139.44   1.557    128
        138.25   1.544     80
        135.25   1.511     32
        133.25   1.488    125
        132.00   1.474    146
        131.44   1.468    186
        127.81   1.428     40
        125.19   1.398    237
        119.06   1.330     70
        118.19   1.320     61
        108.13   1.208   1000
        105.94   1.183     37
        101.94   1.139    956
         90.19   1.008    197
         89.38   0.998    306
         82.75   0.924    514
         80.88   0.904    145
         75.63   0.845    107
         74.75   0.835    154
         73.38   0.820     96
    

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in CDCl3

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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