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142-30-3

2,5-二甲基-3-己炔-2,5-二醇(142-30-3)质谱(MS)

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

InChIKey: IHJUECRFYCQBMW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2272          
    2,5-dimethyl-3-hexyne-2,5-diol
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.4
          15.0      11.5
          17.0       1.4
          18.0       6.8
          25.0       1.6
          26.0       8.0
          27.0       6.1
          28.0       1.3
          29.0       2.4
          31.0       2.3
          37.0       1.5
          38.0       2.5
          39.0      13.7
          40.0       5.0
          41.0      11.5
          42.0       3.1
          43.0     100.0
          44.0       2.6
          45.0       1.0
          50.0       2.7
          51.0       5.5
          52.0       1.3
          53.0       5.3
          55.0       3.9
          56.0       1.5
          57.0       1.0
          58.0      13.6
          59.0       6.4
          62.0       1.3
          63.0       2.5
          65.0       8.0
          66.0       8.8
          67.0       5.3
          69.0      21.6
          70.0       1.2
          77.0       2.1
          78.0       1.5
          79.0       4.9
          81.0      28.3
          82.0       2.3
          83.0       3.6
          91.0       4.8
         105.0       1.3
         106.0       4.0
         107.0       1.0
         109.0      60.0
         110.0       5.3
         123.0       1.1
         124.0       1.1
         127.0      10.5
    

parameter in CDCl3

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    1H NMR 300 MHz
    C8 H14 O2 0.045 g : 0.5 ml CDCl3
    2,5-dimethyl-3-hexyne-2,5-diol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.16 D(B) 1.505

         Hz     ppm     Int.
    

        947.09   3.157    167
        451.50   1.505   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,150M,powder

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