959-02-4

5,12-二氢并四苯(959-02-4)核磁图(¹³CNMR)

产品名称:5,12-二氢并四苯

CAS:959-02-4

分子式:C18H14

分子量: 230.3

InChI:InChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-10H,11-12H2

InChIKey: WSXODQAKLVVOCS-UHFFFAOYSA-N

Smiles:C1=C2C(CC3=C(C2)C=C2C(C=CC=C2)=C3)=CC=C1

Mass

MS-NW-6284          
5,12-dihydronaphthacene
C18H14              (Mass of molecular ion:    230)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.3
      39.0       1.2
      51.0       1.2
      63.0       1.9
      74.0       1.2
      75.0       1.7
      76.0       1.4
      87.0       1.5
      88.0       3.1
      89.0       1.1
      94.5       1.1
      99.0       1.0
     100.0       3.3
     100.5       1.1
     101.0       7.7
     101.5       1.4
     107.5       4.3
     112.0       2.0
     112.5       1.2
     113.0       6.5
     113.5       2.0
     114.0      15.6
     114.5       5.7
     115.0       6.8
     115.5       1.0
     150.0       1.2
     151.0       1.0
     176.0       1.3
     187.0       1.0
     189.0       1.4
     200.0       2.7
     201.0       1.9
     202.0       5.0
     203.0       1.3
     213.0       1.2
     215.0       7.4
     216.0       1.5
     224.0       2.9
     225.0       2.4
     226.0      15.1
     227.0       6.5
     228.0      55.6
     229.0      78.3
     230.0     100.0
     231.0      18.1
     232.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₄	saturated in CDCl₃
5,12-dihydronaphthacene

    Assign.     Shift(ppm)

      A             7.779
      B             7.748
      C             7.409
      D             7.335
      E             7.209
      F             4.078

     Hz     ppm     Int.

   3114.01   7.792    179
   3110.72   7.784    179
   3107.91   7.777    182
   3104.49   7.769    220
   3101.93   7.762     59
   3100.34   7.758     57
   3096.31   7.748    463
   2969.36   7.430     32
   2968.87   7.429     32
   2965.94   7.422    329
   2963.99   7.417     51
   2962.65   7.414    230
   2959.59   7.406    248
   2957.89   7.402     55
   2956.42   7.398    347
   2953.13   7.390     47
   2951.90   7.387     46
   2940.19   7.357     32
   2936.52   7.348    153
   2933.11   7.340    170
   2931.15   7.335    183
   2927.61   7.326    221
   2923.83   7.316     57
   2890.99   7.234     34
   2889.89   7.232     43
   2885.74   7.221    279
   2882.45   7.213    204
   2880.25   7.207    228
   2876.95   7.199    246
   2873.41   7.190     32
   2872.92   7.189     32
   2871.95   7.187     31
   1629.76   4.078   1000

in CDCl3