2,5-Dimethylbenzoxazole(5676-58-4) ¹H NMR

Product Name2,5-Dimethylbenzoxazole

CAS 5676-58-4

Molecular FormulaC9H9NO

Molecular Weight147.17

InChIInChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3

InChIKey XVQGFGKAPKEUFT-UHFFFAOYSA-N

SmilesO1C2=CC=C(C)C=C2N=C1C

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¹HNMR

¹³CNMR

Mass

MS-IW-1356          
2,5-dimethylbenzoxazole
C9H9NO              (Mass of molecular ion:    147)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.1
      39.0       3.4
      43.0       1.6
      50.0       3.6
      51.0       9.2
      52.0       6.6
      53.0       1.4
      58.5       3.5
      59.0       1.1
      59.5       1.5
      63.0       2.3
      65.0       1.1
      73.5       3.1
      74.0       1.0
      76.0       1.9
      77.0      12.3
      78.0      27.3
      79.0       2.3
      91.0       1.8
     104.0       2.6
     105.0      10.2
     106.0      26.1
     107.0       2.7
     118.0       4.9
     132.0       3.9
     146.0      47.0
     147.0     100.0
     148.0      10.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ N O	0.05 ml : 0.5 ml CDCl₃
2,5-dimethylbenzoxazole

    Assign.     Shift(ppm)

      A             7.410
      B             7.284
      C             7.05
      D             2.568
      E             2.421

     Hz     ppm     Int.

    664.50   7.420    108
    663.69   7.411    119
    662.94   7.403    108
    657.88   7.346     76
    649.56   7.253    150
    635.63   7.098     79
    635.25   7.094     80
    634.25   7.082     74
    627.50   7.007     40
    626.88   7.000     40
    625.94   6.990     37
    230.06   2.569   1000
    226.75   2.532     34
    226.19   2.526     36
    216.88   2.422    583

in CDCl3