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95-47-6

邻二甲苯(95-47-6)质谱(MS)

产品名称:邻二甲苯

CAS:95-47-6

分子式:C8H10

分子量: 106.17

InChI:InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3

InChIKey: CTQNGGLPUBDAKN-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0046          
    o-xylene
    C8H10               (Mass of molecular ion:    106)
    

       Source Temperature: 230 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          27.0       2.9
          38.0       1.1
          39.0       7.6
          41.0       1.9
          43.0       1.3
          50.0       3.6
          51.0       8.2
          52.0       3.5
          53.0       2.2
          62.0       1.6
          63.0       4.6
          65.0       6.4
          74.0       1.4
          75.0       1.0
          77.0      10.9
          78.0       5.7
          79.0       6.5
          89.0       1.9
          91.0     100.0
          92.0       8.0
         102.0       1.3
         103.0       5.8
         104.0       2.9
         105.0      26.4
         106.0      63.3
         107.0       5.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 0.05 ml : 0.5 ml CDCl3
    o-xylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.07 B 2.220

         Hz     ppm     Int.
    

       2839.60   7.106     50
       2835.33   7.095     94
       2830.08   7.082    199
       2825.93   7.072    262
       2823.49   7.065     97
       2820.92   7.059    105
       2816.89   7.049     73
        887.33   2.221   1000
        879.39   2.201     36
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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