3096-52-4

2-硝基-9-芴酮(3096-52-4)質譜(MS)

產品名稱:2-硝基-9-芴酮

CAS:3096-52-4

分子式:C13H7NO3

分子量: 225.2

InChI:InChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H

InChIKey: AJEAHBZZHSLIQP-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C2=C1C=C([N+]([O-])=O)C=C2

Mass

MS-NW-2157          
2-nitro-9-fluorenone
C13H7NO3            (Mass of molecular ion:    225)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.8
      28.0       2.7
      30.0       1.9
      39.0       1.2
      50.0       2.0
      51.0       3.2
      61.0       1.0
      62.0       2.4
      63.0       2.2
      74.0       4.5
      75.0       9.5
      75.5       4.9
      76.0       2.4
      77.0       3.1
      86.0       1.6
      87.0       1.9
      98.0       2.6
      99.0       2.8
     100.0       1.3
     101.0       2.2
     111.0       1.0
     125.0       4.1
     139.0      10.7
     140.0       1.3
     149.0       1.8
     150.0      22.8
     151.0      63.1
     152.0       8.4
     164.0       1.4
     165.0       3.1
     167.0       8.3
     168.0       1.1
     179.0      22.4
     180.0       3.2
     195.0      23.1
     196.0       3.5
     209.0       1.0
     211.0       2.9
     225.0     100.0
     226.0      14.4
     227.0       1.6

400 MHz in DMSO-d6 at 50C

¹H NMR	399.65 MHz
C₁₃ H₇ N O₃	saturated in DMSO-d₆ at 50 C
2-nitro-9-fluorenone

    Assign.     Shift(ppm)

      A             8.487
      B             8.237
      C             8.085
      D             8.001
      E             7.75
      F             7.73
      G             7.535

     Hz     ppm     Int.

   3402.40   8.514     33
   3401.79   8.512     38
   3401.03   8.511     48
   3397.22   8.501    325
   3394.93   8.495    339
   3392.33   8.489     84
   3388.98   8.480    352
   3386.84   8.475    354
   3383.03   8.465     30
   3301.39   8.261     30
   3300.93   8.260     33
   3300.32   8.259     32
   3299.56   8.257     41
   3298.95   8.255     43
   3292.85   8.240    625
   3290.86   8.235    593
   3243.56   8.117     32
   3243.10   8.115     33
   3242.49   8.114     32
   3241.58   8.112     36
   3239.14   8.105     68
   3235.32   8.096    558
   3231.96   8.087     78
   3231.35   8.086     80
   3227.08   8.075    514
   3222.96   8.065     45
   3221.74   8.062     39
   3221.28   8.061     38
   3220.83   8.060     38
   3220.21   8.058     38
   3219.76   8.057     33
   3208.62   8.029     33
   3208.01   8.028     32
   3207.40   8.026     32
   3206.79   8.024     39
   3205.41   8.021     54
   3201.45   8.011    396
   3197.63   8.002     87
   3194.12   7.993    430
   3106.38   7.773     30
   3103.18   7.765     48
   3102.72   7.764     51
   3096.92   7.750    714
   3089.60   7.731   1000
   3085.17   7.720     90
   3082.43   7.713    243
   3078.00   7.702     35
   3023.22   7.565     33
   3022.46   7.563     43
   3019.10   7.555    278
   3018.65   7.554    278
   3015.29   7.545     75
   3011.32   7.535    452
   3007.35   7.525     65
   3004.15   7.517    193
   3001.25   7.510     38

in DMSO-d6