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返回ChemicalBook首页>CAS数据库列表>5676-58-4更多图谱> 2,5-二甲基苯并恶唑(5676-58-4)核磁图(1HNMR)

5676-58-4

2,5-二甲基苯并恶唑(5676-58-4)核磁图(1HNMR)

分子式:C9H9NO

分子量: 147.17

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

InChIKey: XVQGFGKAPKEUFT-UHFFFAOYSA-N

Smiles:O1C2=CC=C(C)C=C2N=C1C

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    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

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

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