15082-28-7

2-(4'-叔丁苯基)-5-(4'-联苯基)-1,3,4-恶二唑(15082-28-7)核磁图(¹³CNMR)

分子式:C24H22N2O

分子量: 354.44

InChI:InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3

InChIKey: XZCJVWCMJYNSQO-UHFFFAOYSA-N

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

Mass

MS-NW-7062          
2-(4-biphenylyl)-5-(p-tert-butylphenyl)-1,3,4-oxadiazole
C24H22N2O           (Mass of molecular ion:    354)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.9
      39.0       2.5
      41.0       4.8
      51.0       1.6
      57.0       4.4
      63.0       1.9
      65.0       1.0
      75.0       1.2
      76.0       1.9
      77.0       4.1
      78.0       1.1
      89.0       1.6
      90.0       1.4
      91.0       3.7
     102.0       2.1
     103.0       1.5
     104.0       1.2
     105.0       2.0
     115.0       4.4
     116.0       4.0
     117.0       2.5
     118.0       4.8
     119.0       2.2
     127.0       1.9
     128.0       1.4
     129.0       1.0
     132.0       1.4
     139.0       1.0
     144.0       4.7
     145.0       2.7
     146.0       3.5
     151.0       4.0
     152.0      13.9
     153.0      11.2
     154.0       1.4
     155.5      10.9
     156.0       2.8
     159.0       1.4
     161.0      16.0
     162.0       2.1
     165.0       2.0
     166.0       1.1
     169.5       9.3
     170.0       2.5
     177.0       1.7
     178.0       2.2
     179.0       8.7
     180.0       2.0
     181.0      24.4
     182.0       3.6
     239.0       1.2
     241.0       4.9
     242.0       3.2
     243.0       1.0
     253.0       1.5
     254.0       1.6
     255.0       2.6
     267.0       1.6
     268.0       2.8
     283.0       9.0
     284.0       2.3
     296.0       1.2
     298.0       1.9
     311.0       1.7
     339.0      56.4
     340.0      14.9
     341.0       2.2
     354.0     100.0
     355.0      27.0
     356.0       4.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₄ H₂₂ N₂ O	0.040 g : 0.5 ml CDCl₃
2-(4-biphenylyl)-5-(p-tert-butylphenyl)-1,3,4-oxadiazole

    Assign.     Shift(ppm)

      A             8.19
      B             8.07
      C             7.75
      D          7.75 to 7.33
      E             1.373

     Hz     ppm     Int.

    738.81   8.250     60
    732.13   8.175     33
    730.25   8.154     93
    728.00   8.129     68
    719.31   8.032     82
    697.75   7.791     90
    690.75   7.713     43
    689.06   7.694     66
    682.50   7.621     65
    680.44   7.598    134
    678.31   7.574     40
    675.00   7.537     35
    673.44   7.520     41
    671.50   7.498     88
    670.38   7.486     59
    668.06   7.460     40
    665.13   7.427     62
    663.00   7.403     56
    123.06   1.375   1000

¹H NMR	399.65 MHz
C₂₄ H₂₂ N₂ O	0.050 g : 0.5 ml CDCl₃
2-(4-biphenylyl)-5-(p-tert-butylphenyl)-1,3,4-oxadiazole

    Assign.     Shift(ppm)

      A             8.190
      B             8.072
      C             7.736
      D             7.635
      E             7.546
      F             7.467
      G             7.394
      J             1.367

     Hz     ppm     Int.

   3277.59   8.202     71
   3269.04   8.180     78
   3230.71   8.084     68
   3222.17   8.063     75
   3096.07   7.747     87
   3087.52   7.726     79
   3057.13   7.650     46
   3055.66   7.646     63
   3049.93   7.632     32
   3048.71   7.629     67
   3047.61   7.626     57
   3020.02   7.557     84
   3011.47   7.536     78
   2992.07   7.487     37
   2984.86   7.469     76
   2983.40   7.466     37
   2977.17   7.450     45
   2960.69   7.409     33
   2953.25   7.390     37
    546.63   1.368   1000

D2O

in CDCl3