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Back ChemicalBook Home>CAS DataBase List>7128-64-5More Spectrum> 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene(7128-64-5) MS

2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene(7128-64-5) MS

Molecular FormulaC26H26N2O2S

Molecular Weight430.56

InChIInChI=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

SmilesC1(C2=NC3=CC(C(C)(C)C)=CC=C3O2)SC(C2=NC3=CC(C(C)(C)C)=CC=C3O2)=CC=1


  • 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
    ChemicalStructure
        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
    ChemicalStructure
        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



nujol mull



2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene(7128-64-5) MS Atlas of Related Products

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