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122-63-4

丙酸芐酯(122-63-4)質(zhì)譜(MS)

產(chǎn)品名稱:丙酸芐酯

CAS:122-63-4

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey: VHOMAPWVLKRQAZ-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)CC

  • 圖譜
    Mass 

    MS2015-05288CW      
benzyl propionate
C10H12O2            (Mass of molecular ion:    164)


       Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV


          27.0       2.2
      29.0       8.0
      39.0       3.5
      50.0       1.6
      51.0       4.8
      52.0       1.3
      57.0      24.7
      63.0       2.9
      64.0       1.0
      65.0      10.3
      77.0       8.7
      78.0       2.3
      79.0      14.0
      80.0       1.3
      89.0       7.5
      90.0      24.0
      91.0      80.3
      92.0       6.4
     105.0       3.2
     107.0      11.1
     108.0     100.0
     109.0       7.5
     164.0      39.2
     165.0       4.3

90 MHz in CDCl3

in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C10 H12 O2 0.04 ml : 0.5 ml CDCl3
    benzyl propionate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A          7.50 to 7.14
      B             5.113
      C             2.372
      D             1.158
  

         Hz     ppm     Int.


        657.19   7.338   1000
    654.75   7.311     66
    457.94   5.114    466
    224.44   2.507     36
    223.75   2.499     36
    216.38   2.417    150
    208.75   2.331    175
    201.75   2.253     55
    201.25   2.248     52
    201.13   2.246     52
    110.81   1.238    208
    103.50   1.156    492
    103.06   1.151    296
     95.75   1.070    151
     95.19   1.063     81

  • 圖譜

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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