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网站主页CAS数据库列表 3031-68-3更多图谱2,4-己二炔-1,6-二醇(3031-68-3)质谱(MS)

2,4-己二炔-1,6-二醇

产品名称 2,4-己二炔-1,6-二醇

CAS号3031-68-3

分子式C6H6O2

分子量110.11

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  • Mass

    MS-KW-0507          
    2,4-hexadiyne-1,6-diol
    C6H6O2              (Mass of molecular ion:    110)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          17.0       2.4
          18.0      11.2
          26.0       2.1
          27.0      28.7
          28.0       2.1
          29.0      24.5
          30.0       5.3
          31.0       9.7
          36.0       1.6
          37.0       7.2
          37.5       1.2
          38.0       8.5
          39.0      67.4
          40.0       4.1
          42.0       2.3
          43.0       1.6
          44.0       1.2
          45.0       1.0
          48.0       2.1
          49.0       8.0
          50.0      21.9
          51.0      22.9
          52.0      10.3
          53.0     100.0
          54.0      15.5
          55.0       9.8
          56.0       1.1
          60.0       3.0
          61.0      11.9
          62.0      15.9
          63.0      31.4
          64.0      21.6
          65.0      29.9
          66.0       3.5
          73.0       3.2
          74.0      10.6
          75.0       5.9
          76.0       5.6
          77.0       4.8
          78.0       1.3
          79.0       7.4
          80.0       2.0
          81.0      93.6
          82.0       6.0
          90.0       1.4
          92.0      13.2
          93.0       4.6
         109.0       7.6
         110.0      55.2
         111.0       3.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H6 O2 0.040 g : 0.5 ml DMSO-d6
    2,4-hexadiyne-1,6-diol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.16 B 4.173

         Hz     ppm     Int.
    

       1667.97   4.174   1000
    

in DMSO-d6

D2O





KBr disc



nujol mull