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返回ChemicalBook首页>CAS数据库列表>1482-15-1更多图谱> 3,4-二甲基-1-戊炔-3-醇(1482-15-1)核磁图(13CNMR)

1482-15-1

3,4-二甲基-1-戊炔-3-醇(1482-15-1)核磁图(13CNMR)

分子式:C7H12O

分子量: 112.17

InChI:InChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3

InChIKey: DZNLEQBXXLGELU-UHFFFAOYSA-N

Smiles:C#CC(C)(O)C(C)C

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    Mass

    MS-NW-2209          
    3,4-dimethyl-1-pentyn-3-ol
    C7H12O              (Mass of molecular ion:    112)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.4
          18.0       1.1
          26.0       1.5
          27.0       8.8
          29.0       1.5
          38.0       1.2
          39.0       8.5
          40.0       1.8
          41.0      16.1
          42.0       3.1
          43.0      58.8
          44.0       1.8
          50.0       1.7
          51.0       3.3
          52.0       2.0
          53.0       3.5
          55.0       6.0
          58.0       1.4
          67.0       1.7
          68.0       4.4
          69.0     100.0
          70.0      12.0
          71.0       1.7
          77.0       3.2
          79.0       3.7
          83.0       1.6
          97.0      14.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H12 O 0.04 ml : 0.5 ml CDCl3
    3,4-dimethyl-1-pentyn-3-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.424 B 2.08 C 1.82 D 1.456 E *1 1.05 F *1 1.01

         Hz     ppm     Int.
    

        217.06   2.424    377
        186.13   2.079    103
        169.44   1.892     24
        163.63   1.828     29
        162.69   1.817     42
        156.25   1.745     31
        155.94   1.742     32
        149.56   1.670     24
        130.44   1.457   1000
        128.81   1.439     34
        128.19   1.432     27
         96.75   1.081    275
         93.56   1.045    291
         90.13   1.007    223
         86.94   0.971    221
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,150M,liquid

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