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20662-84-4

2,4,5-三甲基恶唑(20662-84-4)核磁图(13CNMR)

分子式:C6H9NO

分子量: 111.14

InChI:InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3

InChIKey: ZRLDBDZSLLGDOX-UHFFFAOYSA-N

Smiles:O1C(C)=C(C)N=C1C

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    Mass

    MS-IW-1257          
    2,4,5-trimethyloxazole
    C6H9NO              (Mass of molecular ion:    111)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       5.4
          26.0       2.2
          27.0       6.2
          28.0       1.5
          38.0       1.0
          39.0       3.2
          40.0       2.7
          41.0       9.7
          42.0      35.5
          43.0      55.6
          44.0       1.6
          52.0       1.0
          53.0       1.4
          54.0       2.6
          55.0      45.5
          56.0       1.6
          66.0       2.1
          67.0       1.7
          68.0      30.0
          69.0      11.9
          70.0      25.4
          71.0       1.3
          82.0      11.9
          83.0       1.8
          96.0       5.4
         110.0      14.2
         111.0     100.0
         112.0       8.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H9 N O 0.05 ml : 0.5 ml CDCl3
    2,4,5-trimethyloxazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.35 B 2.175 C 2.027

         Hz     ppm     Int.
    

        939.58   2.352    700
        937.26   2.346   1000
        869.38   2.176    790
        868.90   2.175    793
        813.11   2.035    586
        810.67   2.029    852
        809.69   2.026    814
        797.85   1.997     37
    

in CDCl3

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liquid film

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