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95-48-7

邻甲酚(95-48-7)红外图谱(IR2)

产品名称:邻甲酚

CAS:95-48-7

分子式:C7H8O

分子量: 108.14

InChI:InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1C

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    Mass

    MS-NW-6819          
    o-cresol
    C7H8O               (Mass of molecular ion:    108)
    

       Source Temperature: 260 °C
       Sample Temperature: 200 °C
       Reservoir, 75 eV
    

          26.0       1.5
          27.0       6.3
          28.0       1.0
          29.0       1.1
          37.0       1.7
          38.0       3.2
          39.0      10.9
          39.5       1.1
          40.0       1.8
          43.0       1.2
          50.0       5.4
          51.0       9.7
          52.0       4.9
          53.0       6.8
          53.5       1.9
          54.0       3.6
          55.0       1.9
          61.0       1.0
          62.0       1.9
          63.0       4.3
          64.0       1.5
          65.0       2.6
          66.0       1.6
          74.0       1.4
          77.0      22.1
          78.0       6.5
          79.0      25.4
          80.0      10.3
          81.0       1.5
          89.0       8.4
          90.0      20.8
          91.0       6.3
          94.0       1.2
         107.0      67.4
         108.0     100.0
         109.0       8.0
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 O 15.6 mg : 0.5 ml CDCl3
    o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.117 B 7.078 C 6.848 D 6.761 E 4.80 F 2.248

         Hz     ppm     Int.
    

       2849.12   7.130     92
       2848.51   7.128     96
       2841.67   7.111    109
       2841.06   7.109    114
       2837.40   7.100     60
       2836.91   7.099     59
       2836.30   7.097     48
       2835.69   7.096     50
       2835.21   7.095     44
       2829.96   7.082    100
       2829.47   7.080    119
       2828.86   7.079    102
       2828.37   7.078     97
       2827.76   7.076     95
       2822.02   7.062     72
       2821.53   7.061     70
       2820.92   7.059     57
       2820.31   7.057     63
       2819.82   7.056     51
       2744.38   6.867     81
       2744.02   6.867     80
       2743.16   6.864     82
       2736.94   6.849    139
       2735.72   6.846    138
       2729.49   6.830     65
       2729.13   6.829     62
       2728.27   6.827     63
       2706.18   6.772    150
       2705.81   6.771    140
       2705.44   6.770    132
       2698.24   6.752    136
       1919.68   4.804    268
        898.44   2.249   1000
    

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    1H NMR 89.56 MHz
    C7 H8 O 0.035 g : 0.5 ml CDCl3
    o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.11 B 7.07 C 6.82 D 6.74 E 4.79 F 2.236

         Hz     ppm     Int.
    

        642.00   7.169     73
        641.31   7.161     87
        640.50   7.152     97
        639.94   7.146     88
        633.63   7.075    232
        627.19   7.004    119
        626.75   6.999    116
        625.13   6.981     61
        624.56   6.974     56
        619.25   6.915     96
        617.63   6.897    151
        613.06   6.846     59
        610.81   6.821    134
        607.69   6.786    179
        604.81   6.754     80
        603.31   6.737     38
        600.00   6.700    100
        598.44   6.683     51
        428.63   4.786    135
        200.25   2.236   1000
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,powder

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