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93-56-1

苯基-1,2-乙二醇(93-56-1)核磁图(1HNMR)

产品名称:苯基-1,2-乙二醇

CAS:93-56-1

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2

InChIKey: PWMWNFMRSKOCEY-UHFFFAOYSA-N

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

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    Mass

    MS-IW-5630          
    1-phenyl-1,2-ethanediol
    C8H10O2             (Mass of molecular ion:    138)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.3
          27.0       1.5
          29.0       1.9
          31.0       1.6
          39.0       4.1
          50.0       3.2
          51.0       8.9
          52.0       2.1
          53.0       1.5
          63.0       2.5
          65.0       5.4
          74.0       1.1
          77.0      32.8
          78.0       5.1
          79.0      55.4
          80.0       3.8
          89.0       2.2
          90.0       1.4
          91.0      27.7
          92.0       6.2
         103.0       1.3
         104.0       1.3
         105.0       9.5
         106.0       1.6
         107.0     100.0
         108.0       8.7
         120.0       6.1
         121.0       1.6
         122.0       1.8
         138.0       5.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H10 O2 0.043 g : 0.5 ml CDCl3
    1-phenyl-1,2-ethanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.70 to 3.55 B 3.69 C 4.718 D 7.277

         Hz     ppm     Int.
    

        651.81   7.278   1000
        429.06   4.791     39
        424.38   4.739     34
        421.81   4.710     47
        417.19   4.659     49
        330.00   3.685    385
        325.94   3.640    167
        321.94   3.595     74
        318.44   3.556     90
    

in CDCl3

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KBr disc

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