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1606-85-5

丁炔二醇乙氧基化物(1606-85-5)红外图谱(IR1)

分子式:C8H14O4

分子量: 174.19

InChI:InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2

InChIKey: IXAWTPMDMPUGLV-UHFFFAOYSA-N

Smiles:C(OCCO)C#CCOCCO

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    Mass

    MS-NW-1094          
    1,4-bis(2-hydroxyethoxy)-2-butyne
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.4
          15.0       7.4
          17.0       1.9
          18.0       9.1
          19.0       7.5
          26.0       4.4
          27.0      22.3
          28.0      13.8
          29.0      24.3
          30.0       2.7
          31.0      48.6
          32.0       2.6
          33.0       5.1
          37.0       1.5
          38.0       3.6
          39.0      34.2
          40.0       7.3
          41.0      85.5
          42.0       5.2
          43.0      21.9
          44.0      13.0
          45.0      91.8
          46.0       2.3
          50.0       5.5
          51.0      12.5
          52.0      83.4
          53.0      14.8
          54.0       4.4
          55.0      17.7
          56.0       7.5
          57.0       9.0
          58.0       2.4
          59.0       1.2
          61.0       3.7
          63.0       1.1
          65.0       1.3
          66.0       1.6
          67.0       1.7
          68.0      25.1
          69.0     100.0
          70.0      18.1
          71.0      25.1
          72.0       1.2
          73.0       3.7
          75.0       5.5
          81.0       3.0
          82.0       2.6
          83.0       2.8
          84.0       2.0
          85.0       1.6
          86.0       1.9
          87.0       1.6
          88.0       1.1
          89.0       2.0
          99.0       7.1
         112.0      22.7
         113.0       4.0
         114.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O4 0.04 ml : 0.5 ml CDCl3
    1,4-bis(2-hydroxyethoxy)-2-butyne
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.255 B 3.90 to 3.52 C 3.2

         Hz     ppm     Int.
    

        384.88   4.298     25
        383.50   4.283     65
        381.06   4.255   1000
        343.25   3.833     35
        341.00   3.808     53
        339.94   3.796     63
        339.00   3.786     46
        336.88   3.762    102
        336.13   3.754    111
        333.50   3.724    253
        331.06   3.697    274
        329.25   3.677    239
        326.88   3.650    150
        326.13   3.642    102
        325.06   3.630    101
        323.00   3.607     54
        321.88   3.595     52
        319.94   3.573     31
        287.81   3.214     48
    

in CDCl3

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liquid film

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