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693-95-8

4-甲基噻唑(693-95-8)Raman光谱

产品名称:4-甲基噻唑

CAS:693-95-8

分子式:C4H5NS

分子量: 99.15

InChI:InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3

InChIKey: QMHIMXFNBOYPND-UHFFFAOYSA-N

Smiles:S1C=C(C)N=C1

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    Mass

    MS-NW-6431          
    4-methylthiazole
    C4H5NS              (Mass of molecular ion:     99)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.0
          26.0       2.3
          27.0       4.1
          28.0       3.1
          32.0       1.2
          37.0       2.0
          38.0       2.8
          39.0      14.3
          40.0       1.2
          43.0       1.3
          44.0       1.4
          45.0      21.9
          46.0       2.4
          47.0       1.1
          51.0       1.0
          52.0       1.1
          54.0       1.3
          57.0       1.8
          58.0       1.8
          68.0       1.0
          69.0       5.4
          70.0       1.8
          71.0      74.2
          72.0      44.9
          73.0       5.0
          74.0       2.1
          98.0       2.1
          99.0     100.0
         100.0       6.1
         101.0       4.8
    

parameter in CCl4

90 MHz in CDCl3

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    1H NMR 300 MHz
    C4 H5 N S in CCl4
    4-methylthiazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.64 D(B) 6.87 D(C) 2.47 J(A,B) 1.86 J(A,C) 0.28 J(B,C) 1.00 HAAKE,P. & MILLER,W.B. J.AM.CHEM.SOC. 85, 4044 (1963) THE COUPLING CONSTANTS WERE MEASURED IN NEAT SOLUTION.

         Hz     ppm     Int.
    

       2592.94   8.643    263
       2591.12   8.637    265
       2063.36   6.878     68
       2062.45   6.875    159
       2061.47   6.872    204
       2060.56   6.869    208
       2059.65   6.865    159
       2058.68   6.862     66
        741.45   2.471   1000
        740.60   2.469    999
    

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    1H NMR 89.56 MHz
    C4 H5 N S 0.05 ml : 0.5 ml CDCl3
    4-methylthiazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.455 B 6.650 C 2.233 HPM-03-662 IN CCL4

         Hz     ppm     Int.
    

        758.25   8.467    190
        756.31   8.445    185
        598.00   6.678     83
        597.06   6.667    182
        596.06   6.656    226
        595.06   6.645    222
        594.06   6.634    173
        593.13   6.623     77
        200.63   2.241   1000
        199.63   2.230    930
    

in CDCl3

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liquid film

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