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1576-67-6

3,6-二甲基菲(1576-67-6)核磁图(1HNMR)

产品名称:3,6-二甲基菲

CAS:1576-67-6

分子式:C16H14

分子量: 206.28

InChI:InChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3

InChIKey: OMIBPZBOAJFEJS-UHFFFAOYSA-N

Smiles:C1=C2C(C3C(C=C2)=CC=C(C)C=3)=CC(C)=C1

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    Mass

    MS-NW-0116          
    3,6-dimethylphenanthrene
    C16H14              (Mass of molecular ion:    206)
    

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

          17.0       1.3
          18.0       7.0
          28.0       8.4
          32.0       3.4
          63.0       1.1
          73.0       1.1
          76.0       2.8
          82.5       1.1
          88.0       2.4
          89.0       4.3
          94.5       3.2
          95.0       2.5
          95.5       1.0
         100.0       1.1
         101.0       4.7
         101.5       1.3
         102.0       7.6
         102.5       1.9
         103.0       4.9
         149.0       1.2
         152.0       1.6
         163.0       1.2
         165.0       2.3
         176.0       1.6
         178.0       2.4
         179.0       1.8
         187.0       1.0
         188.0       1.2
         189.0      17.4
         190.0      10.4
         191.0      21.5
         192.0       4.1
         200.0       1.1
         201.0       1.1
         202.0       5.4
         203.0       3.6
         204.0       1.9
         205.0      19.0
         206.0     100.0
         207.0      17.6
         208.0       1.5
         211.0       2.0
         212.0       4.5
    

parameter in CS2

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 300 MHz
    C16 H14 in CS2
    3,6-dimethylphenanthrene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.62 D(B) 7.28 D(C) 8.315 J(A,B) 8.2 J(A,C) 0.3 J(B,C) 1.75 D(D) 2.595 D(E) 7.485 BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1689 (1967)

         Hz     ppm     Int.
    

       2495.36   8.318    149
       2493.66   8.312    150
       2290.32   7.634    131
       2282.13   7.607    153
       2245.51   7.485    333
       2188.78   7.296     95
       2187.13   7.290     94
       2180.59   7.269     81
       2178.89   7.263     80
        778.51   2.595   1000
    

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    1H NMR 399.65 MHz
    C16 H14 16.5 mg : 0.5 ml CDCl3
    3,6-dimethylphenanthrene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.453 B 7.752 C 7.621 D 7.397 E 2.609 J(B,D)=8.1HZ. J(A,D)=1.1HZ.

         Hz     ppm     Int.
    

       3378.42   8.454    186
       3102.54   7.764    195
       3094.48   7.743    218
       3045.90   7.622    520
       2960.57   7.408    116
       2959.47   7.406    118
       2952.64   7.389    105
       2951.42   7.386    103
       1042.60   2.609   1000
    

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    1H NMR 89.56 MHz
    C16 H14 0.046 g : 0.5 ml CDCl3
    3,6-dimethylphenanthrene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.41 B 7.70 C 7.58 D 7.36 E 2.57

         Hz     ppm     Int.
    

        753.50   8.414    177
        694.81   7.759    161
        686.69   7.668    255
        678.69   7.579    574
        662.50   7.398    124
        661.25   7.384    130
        654.31   7.306     80
        653.13   7.293     79
        229.94   2.568   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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