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Back ChemicalBook Home>CAS DataBase List>95-47-6More Spectrum> o-Xylene(95-47-6) 1H NMR

o-Xylene(95-47-6) 1H NMR

Product Nameo-Xylene

CAS95-47-6

Molecular FormulaC8H10

Molecular Weight106.17

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

InChIKey CTQNGGLPUBDAKN-UHFFFAOYSA-N

SmilesC1(C)=CC=CC=C1C


  • 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


  • 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



liquid film



4880 A,200 M,liquid



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