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103-45-7

乙酸苯乙酯(103-45-7)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸苯乙酯

CAS:103-45-7

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N

Smiles:C(OCCC1=CC=CC=C1)(=O)C

  • 圖譜
    Mass 

    MS-NW-0156          
phenethyl acetate
C10H12O2            (Mass of molecular ion:    164)


       Source Temperature: 220 °C
   Sample Temperature:  80 °C
   Reservoir, 75 eV


          15.0       2.3
      27.0       1.5
      28.0       1.5
      39.0       4.4
      41.0       1.0
      43.0      59.0
      44.0       1.3
      50.0       1.8
      51.0       4.8
      52.0       1.2
      63.0       2.5
      65.0       7.0
      73.0       1.1
      77.0       5.5
      78.0       5.4
      79.0       2.1
      89.0       1.5
      91.0      18.3
      92.0       3.7
     103.0       5.5
     104.0     100.0
     105.0      11.7

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C10 H12 O2 0.04 ml : 0.5 ml CDCl3
    phenethyl acetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A          7.44 to 7.07
      B             4.269
      C             2.926
      D             2.013
  

         Hz     ppm     Int.


        653.00   7.292     51
    652.25   7.283     46
    651.50   7.275     35
    649.13   7.248    383
    647.88   7.235    324
    645.19   7.204     56
    643.19   7.182     31
    642.44   7.174     35
    390.00   4.355     93
    382.81   4.275    208
    375.81   4.197    123
    268.75   3.001     97
    261.69   2.922    169
    254.56   2.843     76
    180.31   2.014   1000

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,100M,liquid

  • 圖譜

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