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604-53-5

1,1'-联萘(604-53-5)红外图谱(IR2)

产品名称:1,1'-联萘

CAS:604-53-5

分子式:C20H14

分子量: 254.33

InChI:InChI=1S/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

InChIKey: ZDZHCHYQNPQSGG-UHFFFAOYSA-N

Smiles:C1(C2=C3C(C=CC=C3)=CC=C2)=C2C(C=CC=C2)=CC=C1

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    Mass

    MS-NW-5878          
    1,1'-binaphthyl
    C20H14              (Mass of molecular ion:    254)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          63.0       1.0
          75.0       1.0
         100.0       1.9
         101.0       1.8
         112.0       3.5
         112.5       1.9
         113.0       8.6
         113.5       1.8
         114.0       2.3
         119.5       4.9
         120.0       1.0
         124.0       2.1
         124.5       1.7
         125.0      10.0
         125.5       3.1
         126.0      26.4
         126.5       7.4
         127.0       8.5
         127.5       1.7
         224.0       2.0
         225.0       1.5
         226.0       2.6
         239.0      12.1
         240.0       2.6
         248.0       1.6
         249.0       1.6
         250.0      12.7
         251.0       5.1
         252.0      52.8
         253.0      74.1
         254.0     100.0
         255.0      20.4
         256.0       2.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C20 H14 13.9 mg : 0.5 ml CDCl3
    1,1'-binaphthyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.95 B *1 7.94 C 7.585 D 7.49 E 7.47 F 7.390 G 7.282 ASSIGNED BY H-H AND C-H COSY AND H-1 COUPLED C13-NMR SPECTRUM.

         Hz     ppm     Int.
    

       3180.54   7.959    611
       3177.00   7.950    644
       3172.36   7.938    733
       3168.82   7.929    703
       3039.55   7.606    620
       3036.50   7.598     56
       3035.16   7.595     48
       3032.59   7.589    891
       3031.37   7.586    636
       3024.41   7.568    811
       3001.10   7.510     34
       2997.44   7.501    869
       2996.22   7.498    913
       2991.94   7.487    439
       2990.60   7.484   1000
       2989.26   7.480    689
       2985.35   7.470    475
       2984.01   7.467    728
       2982.54   7.463    441
       2977.05   7.450    406
       2975.83   7.447    452
       2958.98   7.404    463
       2958.13   7.402    480
       2950.56   7.383    701
       2949.95   7.382    692
       2944.58   7.368     46
       2917.36   7.300    506
       2916.14   7.297    527
       2913.21   7.290     60
       2910.64   7.283    441
       2909.18   7.280    592
       2907.59   7.276    405
       2902.22   7.262    314
       2900.88   7.259    314
    

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    1H NMR 89.56 MHz
    C20 H14 0.040 g : 0.5 ml CDCl3
    1,1'-binaphthyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.95 B *1 7.94 C 7.59 D 7.49 E 7.47 F 7.39 G 7.28 400MHZ : HSP-40-367

         Hz     ppm     Int.
    

        713.56   7.968    412
        711.94   7.950    464
        706.94   7.894    374
        704.81   7.870    861
        703.38   7.854    385
        702.06   7.839    163
        684.31   7.641    313
        677.38   7.564    894
        673.88   7.525    231
        671.69   7.500    884
        670.00   7.482   1000
        669.31   7.474    962
        667.81   7.457    459
        665.81   7.435    589
        664.75   7.423    315
        663.50   7.409    263
        662.44   7.397    145
        659.75   7.367    367
        658.31   7.351    930
        654.81   7.312    586
        653.19   7.294    550
        648.50   7.241    386
        646.31   7.217    152
        643.69   7.188    107
        642.00   7.169    168
        640.25   7.149    108
        638.81   7.133     92
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,150M,powder

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