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Back ChemicalBook Home>CAS DataBase List>103-73-1More Spectrum> Phenetole(103-73-1) 13C NMR

Phenetole(103-73-1) 13C NMR

Product NamePhenetole

CAS103-73-1

Molecular FormulaC8H10O

Molecular Weight122.16

InChIInChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey DLRJIFUOBPOJNS-UHFFFAOYSA-N

SmilesC1(OCC)=CC=CC=C1


  • Mass

    MS-NW-0956          
    phenetole
    C8H10O              (Mass of molecular ion:    122)
    

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

          26.0       1.1
          27.0       6.2
          29.0       5.6
          38.0       2.8
          39.0      12.6
          40.0       3.6
          50.0       3.2
          51.0       8.3
          55.0       2.8
          62.0       1.1
          63.0       3.3
          64.0       1.4
          65.0      10.7
          66.0      17.4
          67.0       1.0
          77.0       9.4
          78.0       1.4
          79.0       1.3
          93.0       1.4
          94.0     100.0
          95.0       6.9
         107.0       1.5
         122.0      35.0
         123.0       3.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H10 O 0.05 ml : 0.5 ml CDCl3
    phenetole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.22 B 6.90 C 6.80 D 3.963 E 1.370 B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        657.69   7.344     81
        657.13   7.338     89
        656.75   7.334     97
        654.81   7.312     73
        653.06   7.292     38
        652.19   7.283     51
        651.31   7.273     92
        650.44   7.263    166
        649.94   7.258    126
        649.25   7.250    192
        648.50   7.241    205
        647.50   7.230    131
        646.75   7.222     78
        646.25   7.216     76
        644.44   7.196     89
        641.75   7.166    222
        641.00   7.158    232
        638.88   7.134     72
        625.69   6.987     65
        624.75   6.976     92
        624.19   6.970    119
        623.19   6.959    152
        620.94   6.934    116
        619.06   6.913    326
        618.31   6.904    401
        616.19   6.881    266
        612.44   6.839    117
        611.88   6.833    123
        610.56   6.818    220
        609.81   6.809    230
        609.38   6.805    207
        606.50   6.772     38
        365.81   4.085    124
        358.81   4.007    413
        355.69   3.972     32
        351.81   3.929    440
        344.88   3.851    153
        129.50   1.446    498
        122.63   1.370   1000
        118.69   1.326     48
        115.56   1.291    441
    

in CDCl3



CCl4 solution



liquid film



4880 A,150M,liquid



Phenetole(103-73-1) 13C NMR Atlas of Related Products

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