17337-13-2

异氰酸2-联苯酯(17337-13-2)核磁图(¹³CNMR)

产品名称:异氰酸2-联苯酯

CAS:17337-13-2

分子式:C13H9NO

分子量: 195.22

InChI:InChI=1S/C13H9NO/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H

InChIKey: IHHUGFJSEJSCGE-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=CC=C1N=C=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9296          
2-biphenylyl isocyanate
C13H9NO             (Mass of molecular ion:    195)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.5
      38.0       1.2
      39.0       4.4
      50.0       3.4
      51.0       5.7
      52.0       1.4
      62.0       2.8
      63.0       6.0
      64.0       1.6
      65.0       1.3
      69.0       2.5
      69.5       5.8
      70.0       3.3
      70.5       6.0
      74.0       2.3
      75.0       3.0
      76.0       2.6
      77.0       2.7
      82.5       3.0
      83.0       1.6
      83.5      16.3
      84.0       2.3
      86.0       1.2
      87.0       1.9
      88.0       2.2
      89.0       2.7
      97.5       1.8
     101.0       1.1
     102.0       1.2
     113.0       2.8
     114.0       2.6
     115.0       3.8
     126.0       1.1
     138.0       1.2
     139.0      13.3
     140.0      10.9
     141.0       1.8
     151.0       1.4
     152.0       1.9
     164.0       1.7
     165.0       1.6
     166.0      20.6
     167.0      65.4
     168.0       9.2
     194.0       1.2
     195.0     100.0
     196.0      14.7
     197.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₉ N O	0.05 ml : 0.5 ml CDCl₃
2-biphenylyl isocyanate

    Assign.     Shift(ppm)

      A             7.41
      B             7.38
      C             7.36
      D             7.282
      E             7.232
      F             7.193
      G             7.115

     Hz     ppm     Int.

   2973.75   7.441    161
   2972.41   7.438    234
   2970.83   7.434    137
   2969.73   7.431     89
   2966.55   7.423    391
   2965.33   7.420    581
   2963.87   7.417    504
   2960.94   7.409    247
   2958.50   7.403    916
   2957.64   7.401    725
   2955.69   7.396    629
   2953.74   7.391   1000
   2953.13   7.390    871
   2950.44   7.383    209
   2948.24   7.378    473
   2946.90   7.374    596
   2945.68   7.371    286
   2944.95   7.369    275
   2944.21   7.367    180
   2942.50   7.363    208
   2940.92   7.359    204
   2939.82   7.356    389
   2936.52   7.348    102
   2935.06   7.345    114
   2932.98   7.339    148
   2915.89   7.297    263
   2915.41   7.295    277
   2913.94   7.292    319
   2913.33   7.290    291
   2908.45   7.278    423
   2906.62   7.273    445
   2906.13   7.272    417
   2900.63   7.258    170
   2898.68   7.254    175
   2893.19   7.240    470
   2891.24   7.235    352
   2885.62   7.221    482
   2883.54   7.216    368
   2881.10   7.210    412
   2879.39   7.205    463
   2873.66   7.191    439
   2872.19   7.187    378
   2866.21   7.172    172
   2864.75   7.169    135
   2848.39   7.128    395
   2847.90   7.126    404
   2846.56   7.123    400
   2840.82   7.109    284
   2840.21   7.107    307
   2839.11   7.104    287
   2838.62   7.103    262

in CDCl3