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123-51-3

異戊醇(123-51-3)紅外圖譜(IR2)

產(chǎn)品名稱:異戊醇

CAS:123-51-3

分子式:C5H12O

分子量: 88.15

InChI:InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N

Smiles:C(O)CC(C)C

  • 圖譜
    Mass 

    MS-NW-1323          
3-methyl-1-butanol
C5H12O              (Mass of molecular ion:     88)


       Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       2.9
      18.0       2.0
      19.0       3.0
      26.0       1.7
      27.0      25.7
      28.0      10.0
      29.0      32.8
      31.0      35.5
      38.0       1.5
      39.0      18.1
      40.0       3.1
      41.0      59.9
      42.0      87.1
      43.0      69.0
      44.0       3.0
      45.0      17.5
      46.0       8.3
      47.0       1.6
      53.0       2.4
      54.0       1.3
      55.0     100.0
      56.0      11.8
      57.0      25.4
      58.0       1.2
      69.0       5.6
      70.0      69.7
      71.0       5.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H12 O 0.02 ml : 0.5 ml CDCl3
    3-methyl-1-butanol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.673
      B             1.66
      C             1.57
      D             1.49
      E             0.922
  

         Hz     ppm     Int.


        335.75   3.749    164
    329.00   3.674    299
    327.31   3.655     35
    322.31   3.599    170
    154.69   1.728     37
    148.63   1.660     42
    143.19   1.599     36
    140.63   1.571    253
    137.38   1.534     43
    136.94   1.530     41
    134.38   1.501    184
    127.63   1.426    128
    121.50   1.357     37
    120.19   1.343     31
     85.25   0.952   1000
     79.19   0.885    805

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,150M,liquid

  • 圖譜

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