1817-77-2

硝基二苯基甲烷(1817-77-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:硝基二苯基甲烷

CAS:1817-77-2

分子式:C13H11NO2

分子量: 213.23

InChI:InChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey: IDSGFSCSMXRJON-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(CC2=CC=CC=C2)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5097          
p-benzylnitrobenzene
C13H11NO2           (Mass of molecular ion:    213)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      30.0       1.2
      39.0       6.2
      41.0       1.0
      50.0       3.3
      51.0       6.5
      52.0       1.2
      57.5       2.2
      62.0       2.1
      63.0       8.7
      64.0       2.0
      65.0      11.0
      69.5       4.0
      70.0       1.0
      70.5       3.2
      74.0       1.9
      75.0       2.2
      76.0       3.6
      77.0      17.9
      78.0       2.9
      81.0       1.4
      81.5       3.1
      82.0      10.7
      82.5      13.5
      83.0       8.9
      83.5       2.2
      87.0       1.5
      89.0       9.2
      90.0       4.2
      91.0      29.1
      92.0       2.5
     102.0       1.7
     105.0       1.6
     106.0       1.3
     107.0      21.0
     108.0       1.5
     113.0       1.2
     115.0       9.1
     116.0       1.0
     126.0       1.2
     127.0       2.4
     128.0       7.6
     129.0       1.7
     139.0       5.5
     140.0       1.0
     141.0       2.3
     151.0       3.6
     152.0      33.5
     153.0       8.4
     154.0       3.0
     155.0       2.2
     163.0       4.6
     164.0       6.7
     165.0      74.1
     166.0      49.6
     167.0      45.1
     168.0       7.1
     178.0       2.4
     179.0       1.8
     181.0       1.2
     182.0       1.9
     183.0       2.3
     195.0       1.1
     196.0      17.9
     197.0       3.7
     212.0       4.7
     213.0     100.0
     214.0      14.8
     215.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ N O₂	0.05 ml : 0.5 ml CDCl₃
p-benzylnitrobenzene

    Assign.     Shift(ppm)

      A             8.094
      B             7.30
      C             7.227
      D             7.162
      E             4.046

     Hz     ppm     Int.

   3241.70   8.112    115
   3239.26   8.106    754
   3237.18   8.101    258
   3232.42   8.089    277
   3230.35   8.083    777
   3227.91   8.077    115
   2926.03   7.322    214
   2924.93   7.319    337
   2923.34   7.315    510
   2922.73   7.314    727
   2922.12   7.312    533
   2921.39   7.310    269
   2920.65   7.309    277
   2919.92   7.307    254
   2917.97   7.302    643
   2916.63   7.298    450
   2915.28   7.295    301
   2914.55   7.293    535
   2913.94   7.292    680
   2913.33   7.290    395
   2911.87   7.287    281
   2910.40   7.283    515
   2909.67   7.281    364
   2908.33   7.278    119
   2895.39   7.245    125
   2894.04   7.242    246
   2892.58   7.238    157
   2888.92   7.229     94
   2886.72   7.224    292
   2884.28   7.218     83
   2881.10   7.210    102
   2879.27   7.205    103
   2877.93   7.202     57
   2866.94   7.174    330
   2866.33   7.173    447
   2865.48   7.170    411
   2864.87   7.169    545
   2862.67   7.163    143
   2859.38   7.155    225
   2858.76   7.154    312
   2858.15   7.152    413
   2857.42   7.150    388
   2856.81   7.149    324
   2854.61   7.143     57
   1617.19   4.047   1000

in CDCl3