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5396-61-2

3-乙基-1-庚炔-3-醇(5396-61-2)Raman光谱

分子式:C9H16O

分子量: 140.22

InChI:InChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3

InChIKey: TXCLTIFWSNGTIK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2188          
    3-ethyl-1-heptyn-3-ol
    C9H16O              (Mass of molecular ion:    140)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.9
          25.0       1.4
          26.0       8.8
          27.0      17.1
          28.0       1.9
          29.0      31.5
          31.0       1.2
          39.0      13.4
          40.0       2.2
          41.0      21.6
          42.0       1.6
          43.0      20.9
          45.0       1.4
          50.0       1.2
          51.0       3.9
          52.0       1.3
          53.0       5.9
          54.0       1.5
          55.0      22.3
          56.0       1.8
          57.0      23.1
          58.0       1.4
          59.0       1.4
          63.0       1.0
          65.0       3.3
          66.0       1.0
          67.0       3.0
          68.0       2.0
          69.0      15.5
          70.0       1.1
          71.0       1.1
          72.0       6.0
          77.0      12.5
          78.0       1.7
          79.0       7.9
          80.0       4.3
          81.0       3.1
          82.0       3.6
          83.0     100.0
          84.0       6.3
          85.0       8.8
          91.0       7.7
          93.0       4.0
          97.0       1.9
          98.0       3.8
         107.0       3.2
         111.0      53.7
         112.0       4.2
         114.0       3.0
         122.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H16 O 0.04 ml : 0.5 ml CDCl3
    3-ethyl-1-heptyn-3-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.430 B 2.04 C 1.77 to 1.55 D 1.49 E 1.36 F 1.04 G 0.93 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

        217.63   2.430   1000
        182.88   2.042    254
        163.38   1.825     47
        161.75   1.807     54
        156.69   1.750     62
        155.06   1.732    208
        154.38   1.724    187
        152.06   1.698     43
        148.44   1.658    138
        147.31   1.645    401
        145.13   1.621    129
        144.06   1.609    149
        142.81   1.595    147
        141.94   1.585    193
        141.00   1.575    226
        140.06   1.564    227
        137.44   1.535    171
        135.94   1.518    139
        133.44   1.490    151
        131.69   1.471    112
        130.81   1.461    100
        128.31   1.433     87
        127.44   1.423     71
        126.13   1.409     81
        124.75   1.393     97
        123.31   1.377     88
        122.00   1.363     71
        120.38   1.345     81
        120.00   1.340     79
        118.63   1.325     69
        118.13   1.320     72
        116.81   1.305     53
        115.56   1.291     34
        114.81   1.282     33
        114.00   1.273     33
        112.56   1.257     40
        112.00   1.251     41
        110.38   1.233     30
        109.81   1.227     30
        100.06   1.118    301
         93.19   1.041    683
         92.44   1.033    327
         89.81   1.003    158
         88.94   0.994    137
         86.19   0.963    173
         85.38   0.954    243
         84.25   0.941    190
         83.31   0.931    412
         80.81   0.903     99
         78.69   0.879     78
         77.44   0.865     64
         76.00   0.849     63
         74.13   0.828     39
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,150M,liquid

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