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104-62-1

甲酸-2-苯乙酯(104-62-1)核磁图(1HNMR)

产品名称:甲酸-2-苯乙酯

CAS:104-62-1

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey: IKDIJXDZEYHZSD-UHFFFAOYSA-N

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

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    Mass

    MS-IW-8663          
    phenethyl formate
    C9H10O2             (Mass of molecular ion:    150)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.3
          29.0       1.5
          31.0       3.9
          39.0       4.6
          41.0       1.1
          50.0       2.1
          51.0       5.7
          52.0       1.3
          63.0       2.8
          65.0      11.0
          77.0       7.4
          78.0       6.2
          79.0       3.1
          89.0       2.0
          91.0      67.8
          92.0      12.6
         103.0       7.2
         104.0     100.0
         105.0      13.0
         122.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O2 0.04 ml : 0.5 ml CDCl3
    phenethyl formate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.000 B 7.44 to 7.04 C 4.368 D 2.959

         Hz     ppm     Int.
    

        718.00   8.017     86
        717.19   8.008    250
        716.63   8.002    396
        716.13   7.997    272
        663.06   7.404     32
        661.50   7.387     39
        658.81   7.357     48
        656.81   7.334     46
        654.31   7.306    101
        653.69   7.299    137
        652.94   7.291    131
        649.94   7.258   1000
        648.56   7.242    840
        646.50   7.219    241
        646.00   7.214    167
        644.00   7.191     79
        643.25   7.183     97
        640.38   7.151     53
        639.56   7.142     35
        635.31   7.094     30
        398.88   4.454    166
        398.44   4.449    171
        398.06   4.445    155
        391.88   4.376    434
        391.44   4.371    333
        391.06   4.367    407
        384.94   4.299    207
        384.38   4.292    213
        271.56   3.033    220
        264.63   2.955    380
        257.69   2.878    174
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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