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533-18-6

乙酸鄰甲苯酯(533-18-6)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸鄰甲苯酯

CAS:533-18-6

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3

InChIKey: AMZORBZSQRUXNC-UHFFFAOYSA-N

Smiles:C(OC1=CC=CC=C1C)(=O)C

  • 圖譜
    Mass 

    MS-NW-3407          
o-tolyl acetate
C9H10O2             (Mass of molecular ion:    150)


       Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       2.4
      27.0       2.7
      38.0       1.4
      39.0       6.1
      42.0       1.1
      43.0      24.3
      50.0       3.3
      51.0       6.8
      52.0       4.1
      53.0       3.5
      62.0       1.0
      63.0       2.7
      65.0       2.2
      77.0      14.9
      78.0       5.3
      79.0       9.8
      80.0       6.5
      89.0       2.3
      90.0       9.4
      91.0       3.8
     107.0      32.7
     108.0     100.0
     109.0       7.9
     150.0      12.3
     151.0       1.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C9 H10 O2 0.04 ml : 0.5 ml CDCl3
    o-tolyl acetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.22
      B             7.18
      C             7.11
      D             6.99
      E             2.284
      F             2.17
  

         Hz     ppm     Int.


        649.13   7.248     27
    648.38   7.240     33
    644.56   7.197    113
    642.50   7.174    165
    639.56   7.142    205
    636.56   7.108     54
    633.94   7.079     51
    629.75   7.032     86
    626.88   7.000     45
    624.94   6.978     31
    622.38   6.950     34
    204.56   2.285   1000
    194.06   2.167    619

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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