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104-87-0

对甲基苯甲醛(104-87-0)核磁图(13CNMR)

产品名称:对甲基苯甲醛

CAS:104-87-0

分子式:C8H8O

分子量: 120.15

InChI:InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8339          
    p-tolualdehyde
    C8H8O               (Mass of molecular ion:    120)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0       2.4
          29.0       1.8
          37.0       1.6
          38.0       3.5
          39.0      19.4
          40.0       1.8
          41.0       3.9
          50.0       6.7
          51.0      10.1
          52.0       1.8
          53.0       1.2
          61.0       2.4
          62.0       5.6
          63.0      13.7
          64.0       3.3
          65.0      29.7
          66.0       2.0
          74.0       2.0
          75.0       1.3
          77.0       1.4
          86.0       1.4
          87.0       1.1
          89.0       8.4
          90.0       4.2
          91.0     100.0
          92.0      11.1
         119.0      96.1
         120.0      91.0
         121.0       8.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H8 O 0.04 ml : 0.5 ml CDCl3
    p-tolualdehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.953 B 7.76 C 7.32 D 2.425

         Hz     ppm     Int.
    

        891.50   9.955    391
        699.90   7.815    204
        698.29   7.797     81
        693.82   7.747     83
        691.85   7.725    337
        690.23   7.707     59
        659.77   7.367    165
        659.25   7.361    231
        658.67   7.355    219
        658.08   7.348    132
        657.35   7.340     84
        656.62   7.332     62
        653.25   7.294     53
        652.59   7.287     66
        652.00   7.281    106
        651.34   7.273    164
        650.68   7.266    190
        650.24   7.261    123
        649.58   7.254     53
        648.93   7.246     32
        217.60   2.430    836
        217.24   2.426   1000
        216.94   2.423    810
        216.58   2.419    603
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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