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75-85-4

叔戊醇(75-85-4)核磁图(13CNMR)

产品名称:叔戊醇

CAS:75-85-4

分子式:C5H12O

分子量: 88.15

InChI:InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N

Smiles:CC(C)(O)CC

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    Mass

    MS-NW-8469          
    2-methyl-2-butanol
    C5H12O              (Mass of molecular ion:     88)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       3.0
          18.0       1.1
          26.0       1.1
          27.0       9.3
          28.0       2.0
          29.0      10.7
          31.0      26.4
          39.0       6.7
          41.0      15.5
          42.0       3.6
          43.0      27.8
          44.0       1.1
          45.0       9.3
          53.0       1.7
          55.0      40.2
          56.0       2.0
          57.0       1.6
          58.0       1.3
          59.0     100.0
          60.0       3.3
          70.0       2.3
          71.0       5.6
          73.0      57.7
          74.0       2.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H12 O 0.04 ml : 0.5 ml CDCl3
    2-methyl-2-butanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.52 B 1.49 C 1.197 D 0.924 J(B,D)=7.8HZ

         Hz     ppm     Int.
    

        138.63   1.548     45
        135.75   1.516    280
        132.81   1.483     29
        131.13   1.465     69
        124.94   1.396     24
        123.63   1.381     25
        109.06   1.218     25
        107.25   1.198   1000
        105.38   1.177     47
         90.13   1.007     51
         89.19   0.996     90
         88.50   0.989     60
         82.38   0.920    217
         81.44   0.910     82
         80.69   0.901     43
         75.50   0.844     32
         74.44   0.832     52
         73.19   0.818     30
    

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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