538-51-2

N-芐叉苯胺(538-51-2)紅外圖譜(IR1)

產(chǎn)品名稱:N-芐叉苯胺

CAS:538-51-2

分子式:C13H11N

分子量: 181.23

InChI:InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H

InChIKey: UVEWQKMPXAHFST-UHFFFAOYSA-N

Smiles:C1(N=CC2=CC=CC=C2)=CC=CC=C1

Mass

MS-NW-5563          
N-benzylideneaniline
C13H11N             (Mass of molecular ion:    181)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       1.7
      28.0       1.3
      38.0       1.1
      39.0       3.8
      50.0       4.4
      51.0      20.3
      52.0       3.0
      62.0       1.1
      63.0       3.2
      64.0       1.8
      74.0       1.3
      75.0       1.4
      76.0       4.9
      77.0      58.6
      77.5       1.1
      78.0      13.8
      89.0       4.0
      89.5       2.1
      90.0       3.3
      90.5       3.1
     103.0       1.1
     104.0      14.5
     105.0       1.3
     151.0       1.1
     152.0       3.2
     153.0       1.4
     179.0       1.5
     180.0      95.2
     181.0     100.0
     182.0      13.7
     183.0       1.0

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ N	0.040 g : 0.5 ml CDCl₃
N-benzylideneaniline

    Assign.     Shift(ppm)

      A             8.433
      B             7.891
      C             7.46
      D             7.378
      E             7.22
      F             7.20

     Hz     ppm     Int.

   3370.36   8.434    886
   3159.55   7.906    341
   3157.35   7.901    396
   3153.93   7.892    351
   3153.20   7.890    348
   3151.98   7.887    207
   3150.63   7.884    223
   3149.54   7.881    359
   2987.06   7.475     99
   2986.45   7.473    102
   2985.23   7.470    148
   2983.03   7.465   1000
   2980.83   7.459    815
   2977.54   7.451    494
   2976.20   7.448    499
   2974.37   7.443    119
   2972.29   7.438    127
   2957.64   7.401    298
   2956.79   7.399    164
   2955.81   7.396    143
   2951.54   7.386    219
   2949.46   7.381    619
   2948.49   7.378    275
   2944.09   7.367    188
   2942.26   7.363    425
   2940.19   7.357     99
   2894.04   7.242    106
   2892.82   7.239    217
   2891.60   7.236    200
   2887.08   7.225    101
   2885.38   7.220    453
   2884.16   7.217    778
   2883.06   7.214    675
   2882.32   7.213    431
   2881.47   7.210    493
   2879.27   7.205    112
   2877.69   7.201    291
   2876.83   7.199    348
   2875.73   7.196    635
   2874.63   7.193    403
   2872.44   7.188     74

¹H NMR	89.56 MHz
C₁₃ H₁₁ N	0.045 g : 0.5 ml CDCl₃
N-benzylideneaniline

    Assign.     Shift(ppm)

      A             8.42
      B             7.88
      C             7.44
      D             7.44
      E             7.38
      F             7.19
      G             7.19

     Hz     ppm     Int.

    753.94   8.419    953
    711.06   7.940    252
    709.25   7.920    193
    708.56   7.912    252
    708.06   7.906    218
    706.75   7.892    234
    705.44   7.877    307
    704.31   7.865    266
    702.75   7.847    205
    701.50   7.833    390
    700.25   7.819    149
    697.81   7.792     86
    675.38   7.542     57
    672.94   7.514    119
    670.19   7.484    305
    669.25   7.473   1000
    668.00   7.459    460
    666.25   7.440    823
    665.38   7.430    375
    664.81   7.424    362
    664.31   7.418    368
    662.75   7.401    726
    661.19   7.383    292
    660.38   7.374    326
    660.00   7.370    335
    659.44   7.364    400
    657.63   7.343    124
    656.06   7.326    107
    654.50   7.308    686
    653.81   7.301    690
    651.88   7.279    198
    650.38   7.262    303
    649.56   7.253    570
    648.94   7.246    401
    647.94   7.235    716
    647.56   7.231    741
    647.06   7.225    744
    644.00   7.191    443
    641.88   7.168    189
    640.44   7.151    318
    639.81   7.144    284
    638.38   7.128    198
    636.50   7.107    101
    635.06   7.091     81

in CDCl3