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9,10-苯并菲

产品名称 9,10-苯并菲

CAS号217-59-4

分子式C18H12

分子量228.29

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  • Mass

    MS-NW-0122          
    triphenylene
    C18H12              (Mass of molecular ion:    228)
    

       Source Temperature: 180 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          18.0       1.0
          88.0       1.2
         100.0       2.7
         101.0       3.4
         112.0       3.3
         112.5       1.9
         113.0       8.7
         113.5       3.2
         114.0       8.6
         114.5       1.6
         200.0       2.8
         201.0       1.5
         202.0       2.7
         224.0       4.6
         225.0       3.8
         226.0      22.7
         227.0      11.3
         228.0     100.0
         229.0      19.8
         230.0       2.2
    

400 MHz in CDCl3

parameter in CS2


  • 1H NMR 399.65 MHz
    C18 H12 15.8 mg : 0.5 ml CDCl3
    triphenylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.636 B 7.642

         Hz     ppm     Int.
    

       3460.45   8.659     51
       3459.35   8.656     67
       3456.30   8.649    676
       3452.88   8.640    545
       3450.07   8.633    560
       3446.66   8.625    712
       3443.60   8.617    101
       3439.94   8.608     24
       3061.89   7.662     85
       3058.72   7.654   1000
       3055.42   7.646    795
       3052.37   7.638    765
       3049.07   7.630    940
       3047.00   7.625     75
       3046.02   7.622    103
       3042.48   7.613     26
    


  • 1H NMR 300 MHz
    C18 H12 5 % in CS2
    triphenylene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.43 D(B) 7.50 J(A,A') 0.5 J(A,B) 8.3 J(A,B') 1.3 J(A',B) 1.3 J(A',B') 8.3 J(B,B') 7.0 BARTLE,K.D. ET AL. SPECTROCHIM.ACTA 22, 941 1966

         Hz     ppm     Int.
    

       2537.93   8.460     83
       2537.08   8.457     98
       2533.86   8.446    934
       2530.52   8.435    815
       2527.62   8.425    801
       2524.27   8.414   1000
       2521.00   8.403    111
       2520.25   8.401     96
       2258.75   7.529     96
       2258.00   7.527    111
       2254.74   7.516   1000
       2251.39   7.505    805
       2248.49   7.495    818
       2245.15   7.484    934
       2241.93   7.473     98
       2241.08   7.470     83
    

in CDCl3



KBr disc



nujol mull





ANION RADICAL, REDUCTION WITH NA IN MTHF

DIANION RADICAL, REDUCTION WITH K IN MTHF