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3031-66-1

3-己炔-2,5-二醇(3031-66-1)核磁图(1HNMR)

产品名称:3-己炔-2,5-二醇

CAS:3031-66-1

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3

InChIKey: KDOWHHULNTXTNS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1236          
    3-hexyne-2,5-diol
    C6H10O2             (Mass of molecular ion:    114)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       5.2
          17.0       1.0
          18.0       4.7
          19.0       1.1
          26.0       2.0
          27.0      14.3
          28.0       2.8
          29.0       8.8
          31.0       3.2
          37.0       1.2
          38.0       2.1
          39.0       8.8
          40.0       1.4
          41.0      16.2
          42.0       2.3
          43.0     100.0
          44.0       4.4
          45.0      13.1
          50.0       3.1
          51.0       4.8
          52.0       3.3
          53.0      24.4
          54.0       2.1
          55.0       8.8
          57.0       1.8
          61.0       1.2
          67.0       3.8
          69.0       6.1
          70.0       5.6
          71.0      27.1
          72.0       1.4
          77.0       1.3
          81.0      14.3
          82.0       1.2
          84.0       1.0
          85.0       2.4
          95.0       1.7
          96.0       1.3
          97.0       1.6
          99.0       7.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H10 O2 0.04 ml : 0.5 ml CDCl3
    3-hexyne-2,5-diol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.560 B 4.16 C 1.443

         Hz     ppm     Int.
    

        418.25   4.671     50
        412.13   4.602    174
        405.56   4.529    180
        399.44   4.461     55
        398.38   4.449     52
        372.06   4.155    161
        132.44   1.479   1000
        125.88   1.406    953
    

in CDCl3

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liquid film

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