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3581-91-7

4,5-二甲基噻唑(3581-91-7)核磁图(1HNMR)

产品名称:4,5-二甲基噻唑

CAS:3581-91-7

分子式:C5H7NS

分子量: 113.18

InChI:InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3

InChIKey: UWSONZCNXUSTKW-UHFFFAOYSA-N

Smiles:S1C(C)=C(C)N=C1

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    Mass

    MS-KW-0500          
    4,5-dimethylthiazole
    C5H7NS              (Mass of molecular ion:    113)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.6
          27.0       5.1
          28.0       2.6
          38.0       1.0
          39.0       5.1
          41.0       3.6
          42.0       2.9
          45.0      15.6
          46.0       2.0
          47.0       1.0
          50.0       2.0
          51.0       3.0
          52.0       2.1
          53.0       8.2
          54.0       3.0
          55.0       1.9
          57.0       1.2
          58.0       4.7
          59.0       8.8
          60.0       1.1
          68.0       1.3
          69.0       3.3
          70.0       1.2
          71.0      53.3
          72.0       6.9
          73.0       2.8
          80.0       1.4
          85.0      22.7
          86.0      26.8
          87.0       2.4
          88.0       1.2
          98.0       7.7
         112.0      11.2
         113.0     100.0
         114.0       7.9
         115.0       4.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H7 N S 0.05 ml : 0.5 ml CDCl3
    4,5-dimethylthiazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.488 B *1 2.36 C *1 2.35

         Hz     ppm     Int.
    

       3392.46   8.489    479
        941.65   2.357   1000
        940.92   2.355    988
        938.23   2.348    950
        937.50   2.346    815
    

in CDCl3

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liquid film

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