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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>55066-56-3更多圖譜> 3-甲基丁酸-4-甲苯酯(55066-56-3)紅外圖譜(IR1)

55066-56-3

3-甲基丁酸-4-甲苯酯(55066-56-3)紅外圖譜(IR1)

產(chǎn)品名稱:3-甲基丁酸-4-甲苯酯

CAS:55066-56-3

分子式:C12H16O2

分子量: 192.25

InChI:InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3

InChIKey: MVDPTWHTUYDLTL-UHFFFAOYSA-N

Smiles:C(OC1=CC=C(C)C=C1)(=O)CC(C)C

  • 圖譜
    Mass 

    MS-NW-9467          
p-tolyl isovalerate
C12H16O2            (Mass of molecular ion:    192)


       Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          27.0       2.1
      29.0       3.2
      39.0       2.7
      41.0       6.8
      43.0       3.0
      51.0       1.5
      52.0       1.0
      53.0       1.3
      55.0       1.0
      57.0      23.9
      58.0       1.0
      65.0       1.8
      69.0       1.8
      77.0       4.9
      78.0       1.3
      79.0       2.8
      80.0       1.9
      85.0       9.1
      90.0       1.3
      91.0       3.7
     107.0      13.0
     108.0     100.0
     109.0       9.8
     135.0       1.7
     192.0       6.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C12 H16 O2 0.05 ml : 0.5 ml CDCl3
    p-tolyl isovalerate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.135
      B             6.939
      C             2.391
      D             2.306
      E             2.224
      F             1.035
  

         Hz     ppm     Int.


       2855.83   7.146    204
   2847.66   7.126    243
   2847.17   7.125    234
   2779.79   6.956     47
   2777.22   6.950    317
   2775.15   6.944    116
   2770.63   6.933    101
   2768.68   6.928    266
   2765.99   6.922     47
    959.72   2.402    357
    952.64   2.384    472
    921.75   2.307    693
    901.73   2.257     47
    895.02   2.240     78
    888.31   2.223     84
    880.86   2.205     67
    874.15   2.188     38
    417.36   1.045   1000
    410.64   1.028    968
    404.42   1.012     46

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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