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90-05-1

愈创木酚(90-05-1)红外图谱(IR2)

产品名称:愈创木酚

CAS:90-05-1

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey: LHGVFZTZFXWLCP-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1OC

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    Mass

    MS-NW-0861          
    guaiacol
    C7H8O2              (Mass of molecular ion:    124)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       3.2
          27.0      10.2
          28.0       2.4
          29.0       1.8
          37.0       1.8
          38.0       3.6
          39.0       9.3
          41.0       1.6
          50.0       5.4
          51.0       8.4
          52.0       9.3
          53.0      13.5
          54.0       1.2
          55.0       3.1
          61.0       1.0
          62.0       2.3
          63.0       5.4
          64.0       2.3
          65.0       6.1
          77.0       3.2
          79.0       1.2
          80.0       2.1
          81.0      60.8
          82.0       3.3
          95.0       2.8
         109.0     100.0
         110.0       6.9
         123.0       1.3
         124.0      87.1
         125.0       6.9
         138.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 O2 0.05 ml : 0.5 ml CDCl3
    guaiacol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.92 B 6.84 C 6.81 D 5.83 E 3.794

         Hz     ppm     Int.
    

       2772.22   6.937     88
       2771.48   6.935     85
       2769.53   6.930    137
       2765.99   6.922     96
       2763.55   6.915    161
       2762.45   6.913    139
       2744.14   6.867     48
       2740.72   6.858     68
       2738.40   6.852    102
       2734.86   6.844    208
       2733.28   6.840     44
       2732.30   6.837     73
       2730.83   6.834     59
       2727.54   6.825    346
       2725.46   6.820    399
       2724.49   6.818    263
       2721.56   6.810    215
       2719.85   6.806    115
       2717.65   6.801     45
       2330.69   5.832    470
       1516.36   3.795   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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