486-25-9

9-芴酮(486-25-9)核磁圖(¹HNMR)

產(chǎn)品名稱:9-芴酮

CAS:486-25-9

分子式:C13H8O

分子量: 180.2

InChI:InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChIKey: YLQWCDOCJODRMT-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C2=C1C=CC=C2

Mass

MS-NW-0472          
9-fluorenone
C13H8O              (Mass of molecular ion:    180)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.4
      50.0       2.4
      51.0       2.0
      62.0       1.8
      63.0       6.2
      74.0       3.5
      75.0       5.0
      75.5       1.6
      76.0      13.4
      76.5       1.5
      77.0       1.2
      86.0       1.3
      87.0       1.8
      90.0       2.1
      98.0       1.8
      99.0       1.6
     102.0       1.4
     125.0       1.5
     126.0       5.1
     150.0       7.2
     151.0      13.0
     152.0      28.9
     153.0       3.8
     180.0     100.0
     181.0      15.4
     182.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₈ O	0.032 g : 0.5 ml CDCl₃
9-fluorenone

    Assign.     Shift(ppm)

      A             7.638
      B             7.48
      C             7.47
      D             7.274

     Hz     ppm     Int.

   3060.55   7.659     34
   3059.33   7.656     38
   3057.01   7.650    372
   3056.15   7.648    553
   3055.18   7.645    376
   3053.22   7.640     40
   3052.12   7.637     43
   3049.68   7.631    409
   3048.83   7.629    533
   3047.73   7.626    394
   3001.71   7.511     31
   3000.37   7.508     35
   2998.17   7.502    140
   2997.31   7.500    155
   2996.58   7.499    225
   2995.85   7.497    219
   2990.72   7.484    661
   2989.99   7.482    669
   2989.14   7.480    665
   2988.28   7.478   1000
   2987.18   7.475    565
   2983.76   7.466     56
   2981.32   7.460    569
   2980.22   7.458    538
   2977.54   7.451     37
   2976.32   7.448     38
   2973.88   7.442    221
   2972.78   7.439    204
   2916.50   7.298     31
   2914.18   7.292    381
   2912.48   7.288    366
   2909.67   7.281     42
   2907.23   7.275    402
   2906.86   7.274    414
   2905.52   7.271    405
   2899.90   7.257    273
   2898.32   7.253    270

in CDCl3