852-38-0

2-(4-聯(lián)苯基)-5-苯基惡二唑(852-38-0)核磁圖(¹HNMR)

產(chǎn)品名稱:2-(4-聯(lián)苯基)-5-苯基惡二唑

CAS:852-38-0

分子式:C20H14N2O

分子量: 298.34

InChI:InChI=1S/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H

InChIKey: WMAXWOOEPJQXEB-UHFFFAOYSA-N

Smiles:O1C(C2=CC=CC=C2)=NN=C1C1=CC=C(C2=CC=CC=C2)C=C1

Mass

MS-NW-8233          
2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole
C20H14N2O           (Mass of molecular ion:    298)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      39.0       1.7
      50.0       1.0
      51.0       3.5
      63.0       3.1
      75.0       1.0
      76.0       1.8
      77.0      20.9
      78.0       1.5
      89.0       1.6
      91.0       1.4
     105.0      27.9
     106.0       2.1
     115.0       1.9
     126.0       1.0
     127.0       2.3
     139.0       1.8
     149.0       3.2
     150.0       1.0
     151.0       5.4
     152.0      23.3
     153.0      17.0
     154.0       2.0
     163.0       1.6
     164.0       2.5
     165.0       9.9
     166.0       2.1
     179.0       1.2
     181.0      51.9
     182.0       7.4
     215.0       1.1
     239.0       4.3
     240.0       2.7
     241.0      29.2
     242.0      22.4
     243.0       4.0
     298.0     100.0
     299.0      22.6
     300.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₁₄ N₂ O	0.032 g : 0.5 ml CDCl₃
2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole

    Assign.     Shift(ppm)

      A             8.185
      B             8.142
      C             7.736
      D             7.635
      E          7.55 to 7.50
      F             7.467
      G             7.396
     
     J(A,C)=8.5HZ

     Hz     ppm     Int.

   3275.63   8.197    726
   3273.80   8.192    264
   3268.80   8.180    338
   3267.09   8.175    787
   3258.91   8.155    440
   3257.20   8.151    507
   3253.91   8.142    314
   3251.95   8.137    376
   3249.27   8.131    472
   3095.58   7.746    881
   3093.87   7.742    284
   3088.75   7.729    332
   3087.16   7.725    788
   3056.40   7.648    500
   3054.93   7.645    646
   3052.98   7.640    191
   3049.07   7.630    407
   3047.85   7.627    691
   3046.88   7.624    585
   3044.68   7.619     92
   3016.97   7.550    134
   3014.65   7.544    254
   3012.21   7.538   1000
   3010.50   7.533    896
   3007.69   7.526    377
   3004.88   7.519    500
   3001.59   7.511    129
   3000.12   7.507    146
   2997.31   7.500     66
   2995.73   7.496     90
   2992.92   7.489    256
   2991.82   7.487    370
   2990.11   7.482    153
   2984.74   7.469    783
   2983.28   7.465    375
   2978.52   7.453    257
   2977.05   7.450    461
   2974.98   7.444     85
   2962.28   7.413    204
   2961.06   7.410    336
   2959.72   7.406    190
   2955.81   7.396    151
   2953.61   7.391    382
   2951.42   7.386     96
   2947.63   7.376     91
   2946.41   7.373    135
   2945.19   7.370     71

in CDCl3