3096-57-9

2-氨基-9-芴酮(3096-57-9)质谱(MS)

产品名称:2-氨基-9-芴酮

CAS:3096-57-9

分子式:C13H9NO

分子量: 195.22

InChI:InChI=1S/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2

InChIKey: SJODITPGMMSNRF-UHFFFAOYSA-N

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

Mass

MS-NW-6343          
2-amino-9-fluorenone
C13H9NO             (Mass of molecular ion:    195)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      39.0       1.1
      62.0       1.3
      63.0       2.3
      69.5       2.5
      70.0       1.3
      70.5       2.4
      74.0       1.2
      75.0       1.2
      82.5       1.7
      83.5       6.1
      86.0       1.0
      87.0       1.4
      89.0       1.3
      97.5       2.8
     113.0       1.7
     114.0       1.1
     115.0       1.1
     138.0       1.5
     139.0      14.6
     140.0       6.3
     141.0       1.1
     150.0       1.1
     164.0       1.1
     166.0       5.2
     167.0       6.1
     168.0       3.2
     194.0       2.3
     195.0     100.0
     196.0      14.7
     197.0       1.3

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₉ N O	0.049 g : 0.5 ml CDCl₃
2-amino-9-fluorenone

    Assign.     Shift(ppm)

      A             7.54
      B             7.38
      C             7.32
      D             7.25
      E             7.13
      F             6.95
      G             6.70
      J             3.89
     
     B,C AND E WERE CONFIRMED BY LAOCN PROGRAM.
     400MHZ : HSP-41-745

     Hz     ppm     Int.

    679.75   7.590    310
    676.76   7.557    111
    676.33   7.552    107
    672.49   7.509    452
    667.36   7.452     95
    666.33   7.441     90
    662.92   7.402    281
    661.72   7.389    291
    655.74   7.322   1000
    653.52   7.298    625
    650.78   7.267    369
    650.27   7.261    361
    645.14   7.204    795
    638.56   7.130    264
    637.96   7.124    271
    636.34   7.106    234
    633.09   7.069    103
    631.73   7.054    134
    630.62   7.042    107
    629.76   7.032    115
    629.33   7.027    121
    623.69   6.964    515
    621.73   6.943    595
    604.81   6.754    365
    602.50   6.728    319
    596.86   6.665    271
    594.73   6.641    240
    347.61   3.882    339

¹H NMR	399.65 MHz
C₁₃ H₉ N O	saturated in CDCl₃
2-amino-9-fluorenone

    Assign.     Shift(ppm)

      A             7.549
      B             7.382
      C             7.320
      D             7.252
      E             7.133
      F             6.957
      G             6.709
      J             3.91
     
     J(A,B) = 1.2 HZ,
     J(A,E) = 7.3 HZ,
     J(B,C) = 7.5 HZ,
     J(C,E) = 1.0 HZ,
     J(D,G) = 7.9 HZ,
     J(F,G) = 2.2 HZ.

     Hz     ppm     Int.

   3021.61   7.561    406
   3020.87   7.559    570
   3020.02   7.557    435
   3014.28   7.543    443
   3013.55   7.541    619
   2959.35   7.405    243
   2958.13   7.402    254
   2956.18   7.397     43
   2951.90   7.387    643
   2950.68   7.384    655
   2947.75   7.376     48
   2947.39   7.375     47
   2944.46   7.368    487
   2943.24   7.365    478
   2935.18   7.345     35
   2933.72   7.341     32
   2928.71   7.329    544
   2927.98   7.327    824
   2924.07   7.317     57
   2923.46   7.316     55
   2921.26   7.310    348
   2920.53   7.308    488
   2902.22   7.262    985
   2898.19   7.252     61
   2897.83   7.251     61
   2894.29   7.243    961
   2890.50   7.233     36
   2860.47   7.158     36
   2857.79   7.151    398
   2856.81   7.149    393
   2854.13   7.142     48
   2850.46   7.133    682
   2849.37   7.130    679
   2843.02   7.114    320
   2842.04   7.112    313
   2781.49   6.960    943
   2779.30   6.955   1000
   2686.16   6.722    677
   2683.84   6.716    651
   2678.22   6.702    634
   2675.90   6.696    608
   1562.74   3.911    138

in CDCl3