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122-99-6

苯氧乙醇(122-99-6)红外图谱(IR1)

产品名称:苯氧乙醇

CAS:122-99-6

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N

Smiles:C(O)COC1=CC=CC=C1

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    Mass

    MS-NW-0097          
    2-phenoxyethanol
    C8H10O2             (Mass of molecular ion:    138)
    

       Source Temperature: 240 °C
       Sample Temperature:  95 °C
       Reservoir, 75 eV
    

          18.0       3.9
          27.0       2.8
          28.0       5.2
          29.0       1.6
          31.0       1.5
          32.0       2.0
          38.0       1.4
          39.0       6.6
          40.0       2.0
          43.0       2.0
          45.0       8.8
          50.0       2.7
          51.0       8.6
          55.0       1.5
          63.0       1.9
          65.0       6.8
          66.0       9.9
          77.0      23.8
          78.0       3.0
          79.0       3.9
          91.0       1.4
          93.0       1.1
          94.0     100.0
          95.0      14.3
         107.0       7.3
         138.0      38.6
         139.0       3.5
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 O2 0.05 ml : 0.5 ml CDCl3
    2-phenoxyethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.239 B 6.929 C 6.873 D 3.984 E 3.882 F 3.21 ASSIGNED BY C-H COSY. J(E,F)=6.1HZ

         Hz     ppm     Int.
    

       2904.42   7.268     90
       2901.98   7.262    622
       2901.12   7.260    254
       2899.78   7.256    244
       2897.09   7.250    127
       2894.65   7.243    821
       2893.19   7.240    791
       2890.87   7.234    173
       2887.94   7.227    287
       2885.86   7.221    772
       2883.42   7.215    146
       2777.59   6.951    194
       2776.49   6.948    369
       2775.39   6.945    232
       2773.07   6.939     36
       2772.46   6.938     34
       2770.39   6.933    266
       2769.17   6.929    610
       2768.31   6.927    328
       2762.82   6.914    173
       2761.72   6.911    304
       2760.74   6.908    189
       2754.03   6.892    141
       2753.30   6.890    154
       2751.95   6.886    780
       2750.85   6.884    889
       2750.00   6.882    502
       2748.66   6.878    297
       2745.12   6.869    278
       2744.14   6.867    440
       2743.04   6.864    806
       2742.07   6.862    712
       2739.50   6.855    147
       1597.78   3.998    571
       1595.70   3.993    204
       1593.51   3.988    969
       1592.04   3.984    563
       1589.72   3.978    279
       1588.50   3.975   1000
       1558.72   3.901    459
       1555.18   3.892    287
       1553.47   3.888    560
       1552.86   3.886    560
       1549.19   3.877    470
       1547.73   3.873    519
       1545.41   3.867    145
       1543.46   3.863    321
       1288.21   3.224    382
       1282.23   3.209    761
       1276.12   3.194    358
    

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    1H NMR 89.56 MHz
    C8 H10 O2 0.04 ml : 0.5 ml CDCl3
    2-phenoxyethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.264 B 6.95 C 6.90 D 4.049 E 3.944 F 2.40 to 2.28

         Hz     ppm     Int.
    

        660.94   7.380    170
        660.38   7.374    117
        659.94   7.369    171
        658.81   7.357     81
        658.00   7.348    112
        655.25   7.317     78
        654.50   7.308    159
        653.81   7.301    254
        652.38   7.285    450
        650.63   7.265    166
        650.19   7.260    154
        649.38   7.251    107
        648.06   7.237    198
        647.06   7.225    206
        645.38   7.207    426
        645.00   7.202    443
        644.25   7.194    393
        642.06   7.170    109
        630.81   7.044    109
        629.75   7.032    176
        629.25   7.027    220
        628.25   7.015    277
        624.94   6.978    179
        622.88   6.955   1000
        621.75   6.943    488
        620.88   6.933    457
        618.75   6.909     67
        616.25   6.881    255
        614.50   6.862    436
        613.69   6.853    358
        613.25   6.848    349
        369.81   4.130    143
        367.94   4.109    191
        366.63   4.094    222
        364.69   4.073    305
        363.81   4.063    338
        362.88   4.052    393
        360.56   4.026    817
        359.81   4.018    790
        356.13   3.977    875
        355.38   3.969    822
        353.13   3.943    454
        352.13   3.932    373
        351.31   3.923    334
        349.31   3.901    242
        348.06   3.887    222
        347.00   3.875     58
        346.13   3.865    163
        214.69   2.398     68
        212.75   2.376     58
        212.13   2.369     55
        211.69   2.364     61
        207.81   2.321    253
    

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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