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2028-63-9

3-丁炔-2-醇(2028-63-9)質(zhì)譜(MS)

產(chǎn)品名稱:3-丁炔-2-醇

CAS:2028-63-9

分子式:C4H6O

分子量: 70.09

InChI:InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

InChIKey: GKPOMITUDGXOSB-UHFFFAOYSA-N

Smiles:CC(O)C#C

  • 圖譜
    Mass 

    MS-NW-2822          
3-butyn-2-ol
C4H6O               (Mass of molecular ion:     70)


       Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          14.0       1.0
      15.0       3.7
      25.0       1.9
      26.0       5.0
      27.0      22.5
      28.0       5.2
      29.0      15.6
      32.0       1.1
      37.0       3.0
      38.0       3.3
      39.0       8.0
      40.0       3.4
      41.0       7.7
      42.0      12.9
      43.0      31.8
      44.0       3.5
      45.0       1.4
      49.0       2.8
      50.0       8.4
      51.0       8.3
      52.0       5.5
      53.0       9.1
      54.0       1.7
      55.0     100.0
      56.0       3.3
      69.0      16.5
      70.0       1.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C4 H6 O 0.05 ml : 0.5 ml CDCl3
    3-butyn-2-ol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.533
      B             3.00
      C             2.469
      D             1.472
  

         Hz     ppm     Int.


        417.25   4.659     29
    415.19   4.636     30
    410.63   4.585     86
    408.50   4.562     88
    403.94   4.511     90
    401.88   4.488     91
    397.38   4.438     34
    395.31   4.414     34
    268.56   2.999    241
    222.13   2.481    416
    220.06   2.458    408
    135.06   1.509   1000
    132.63   1.481     29
    130.56   1.458     23
    128.44   1.435    948
    126.00   1.407     25

in CDCl3

  • 圖譜

liquid film

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  • 圖譜

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