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104-93-8

对甲苯甲醚(104-93-8)核磁图(13CNMR)

产品名称:对甲苯甲醚

CAS:104-93-8

分子式:C8H10O

分子量: 122.16

InChI:InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

InChIKey: CHLICZRVGGXEOD-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(C)C=C1

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    Mass

    MS-NW-0650          
    p-methoxytoluene
    C8H10O              (Mass of molecular ion:    122)
    

       Source Temperature: 240 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       1.1
          27.0       3.3
          38.0       1.2
          39.0       6.2
          41.0       1.3
          50.0       3.7
          51.0       7.4
          52.0       4.2
          53.0       3.8
          62.0       1.4
          63.0       3.5
          64.0       1.0
          65.0       4.6
          77.0      24.1
          78.0       6.8
          79.0      20.4
          80.0       1.4
          89.0       1.7
          90.0       1.5
          91.0      17.3
          92.0       6.3
          93.0       1.2
         107.0      27.0
         108.0       2.4
         121.0      39.2
         122.0     100.0
         123.0       8.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H10 O 10.4 mol% in CDCl3
    p-methoxytoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.78 B 7.05 C 3.729 D 2.26

         Hz     ppm     Int.
    

        636.94   7.112     74
        636.25   7.105     81
        635.56   7.097     45
        634.63   7.087     32
        633.94   7.079     27
        630.44   7.040     37
        629.81   7.033     42
        628.06   7.013    150
        627.44   7.006    133
        625.50   6.985     27
        624.88   6.978     24
        613.19   6.847     27
        610.63   6.819    200
        608.31   6.793     53
        604.13   6.746     36
        601.88   6.721    102
        334.00   3.730   1000
        202.44   2.261    452
    

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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