2,5-雙(5-叔丁基-2-苯并惡唑基)噻吩(7128-64-5)紅外圖譜(IR2)

分子式:C26H26N2O2S

分子量: 430.56

InChI:InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3

InChIKey: AIXZBGVLNVRQSS-UHFFFAOYSA-N

Smiles:C1(C2=NC3=CC(C(C)(C)C)=CC=C3O2)SC(C2=NC3=CC(C(C)(C)C)=CC=C3O2)=CC=1

¹HNMR

IR1

IR2

Mass

MS-NW-7085          
2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene
C26H26N2O2S         (Mass of molecular ion:    430)

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

      27.0       2.2
      29.0       1.5
      39.0       3.2
      41.0       7.6
      51.0       2.7
      53.0       1.8
      55.0       1.6
      57.0       1.0
      63.0       3.0
      64.0       1.0
      65.0       3.7
      77.0      14.2
      78.0       2.4
      79.0       9.4
      89.0       3.7
      90.0       1.2
      91.0       2.3
     103.0       6.1
     104.0       1.6
     105.0      21.0
     106.0       2.1
     115.0       1.1
     117.0       1.4
     131.0       1.0
     133.0      13.8
     134.0       1.7
     172.0       7.7
     172.5       2.0
     173.0       1.0
     186.0       5.6
     186.5       1.5
     200.0      14.1
     200.5       4.3
     201.0       1.5
     207.5       1.4
     226.0       1.7
     227.0       1.4
     239.0       4.6
     240.0       1.7
     266.0       1.0
     267.0       8.2
     268.0       1.8
     284.0       1.2
     318.0       1.0
     331.0       2.8
     357.0       1.3
     358.0       1.5
     359.0       5.8
     360.0       1.6
     371.0       2.0
     372.0       1.3
     374.0       1.0
     375.0       1.5
     385.0       1.3
     387.0       6.3
     388.0       1.8
     399.0       3.7
     400.0       1.7
     401.0       1.3
     415.0      73.3
     416.0      21.2
     417.0       7.0
     418.0       1.6
     429.0       1.4
     430.0     100.0
     431.0      30.8
     432.0       9.5
     433.0       2.1

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₆ H₂₆ N₂ O₂ S	0.048 g : 0.5 ml CDCl₃
2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene

    Assign.     Shift(ppm)

      A             7.873
      B             7.79
      C             7.46
      D             7.41
      E             1.392

     Hz     ppm     Int.

    705.13   7.874    139
    698.88   7.804     41
    697.81   7.792     59
    696.38   7.776     37
    666.69   7.445    118
    665.13   7.427     61
    124.69   1.393   1000

¹H NMR	399.65 MHz
C₂₆ H₂₆ N₂ O₂ S	0.038 g : 0.5 ml CDCl₃
2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene

    Assign.     Shift(ppm)

      A             7.877
      B             7.793
      C             7.464
      D             7.426
      E             1.393

     Hz     ppm     Int.

   3148.32   7.878    223
   3115.72   7.797     68
   3115.23   7.795     77
   3113.89   7.792     75
   3113.40   7.791     72
   2989.62   7.481     40
   2989.14   7.480     40
   2981.08   7.460    100
   2980.47   7.458     98
   2971.19   7.435     79
   2969.36   7.430     73
   2962.52   7.413     32
   2960.69   7.409     32
    556.76   1.394   1000

KBr disc