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764-33-0

2-己炔酸(764-33-0)红外图谱(IR1)

产品名称:2-己炔酸

CAS:764-33-0

分子式:C6H8O2

分子量: 112.13

InChI:InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8)

InChIKey: AKYAUBWOTZJUBI-UHFFFAOYSA-N

Smiles:C(O)(=O)C#CCCC

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    Mass

    MS-IW-9150          
    2-hexynoic acid
    C6H8O2              (Mass of molecular ion:    112)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          16.0       3.2
          18.0       1.8
          22.0       1.2
          26.0       3.8
          27.0      34.1
          28.0       9.0
          29.0      24.8
          31.0       3.1
          32.0       1.3
          37.0       5.0
          38.0       9.7
          39.0      55.9
          40.0      65.7
          41.0      23.9
          42.0      20.1
          43.0       3.0
          44.0      95.1
          45.0       1.2
          49.0       1.5
          50.0       6.4
          51.0       7.7
          52.0       2.8
          53.0      41.9
          54.0       2.3
          55.0       1.3
          56.0       1.1
          57.0       1.1
          61.0       2.4
          62.0       3.1
          63.0       3.7
          65.0       7.0
          66.0       4.4
          67.0     100.0
          68.0      14.4
          69.0       1.3
          71.0       1.7
          95.0       2.8
         113.0       2.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H8 O2 0.05 ml : 0.5 ml CDCl3
    2-hexynoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.70 B 2.346 C 1.628 D 1.024

         Hz     ppm     Int.
    

       3878.78   9.706     67
        944.82   2.365    357
        937.81   2.347    689
        930.79   2.330    380
        668.95   1.674     50
        661.62   1.656    192
        654.45   1.638    366
        647.13   1.620    372
        642.85   1.609     24
        639.95   1.602    209
        632.78   1.584     50
        416.72   1.043    577
        414.28   1.037     51
        409.39   1.025   1000
        401.92   1.006    506
    

in CDCl3

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liquid film

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