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103-45-7

乙酸苯乙酯(103-45-7)核磁图(13CNMR)

产品名称: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

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    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

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    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

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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