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927-74-2

3-丁炔-1-醇(927-74-2)質(zhì)譜(MS)

產(chǎn)品名稱:3-丁炔-1-醇

CAS:927-74-2

分子式:C4H6O

分子量: 70.09

InChI:InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2

InChIKey: OTJZCIYGRUNXTP-UHFFFAOYSA-N

Smiles:C(O)CC#C

  • 圖譜
    Mass 

    MS-NW-6058          
3-butyn-1-ol
C4H6O               (Mass of molecular ion:     70)


       Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          15.0       1.4
      18.0       1.0
      26.0       2.2
      27.0       7.4
      28.0       2.6
      29.0       9.0
      31.0      40.7
      36.0       1.1
      37.0       6.0
      38.0       8.9
      39.0      45.1
      40.0     100.0
      41.0      14.6
      42.0       8.7
      43.0       4.4
      44.0       1.2
      49.0       1.8
      50.0       4.9
      51.0       5.1
      52.0       7.0
      53.0       2.3
      55.0       4.7
      69.0      10.2

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C4 H6 O 0.05 ml : 0.5 ml CDCl3
    3-butyn-1-ol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.725
      B             3.48
      C             2.449
      D             2.077
  

         Hz     ppm     Int.


       1495.12   3.742    217
   1488.77   3.726    381
   1482.30   3.709    228
   1389.65   3.478    188
    986.57   2.469    535
    983.89   2.462    560
    982.18   2.458     83
    980.10   2.453    916
    977.42   2.446    941
    973.51   2.436    525
    970.95   2.430    516
    833.01   2.085    618
    830.32   2.078   1000
    827.64   2.071    576

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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