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96-50-4

2-氨基噻唑(96-50-4)核磁图(1HNMR)

产品名称:2-氨基噻唑

CAS:96-50-4

分子式:C3H4N2S

分子量: 100.14

InChI:InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)

InChIKey: RAIPHJJURHTUIC-UHFFFAOYSA-N

Smiles:S1C=CN=C1N

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    Mass

    MS-NW-5044          
    2-thiazolamine
    C3H4N2S             (Mass of molecular ion:    100)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       1.8
          27.0       8.2
          28.0      10.6
          29.0       1.0
          32.0       1.9
          34.0       1.3
          38.0       1.1
          39.0       1.4
          40.0       2.4
          41.0       2.5
          42.0       2.0
          43.0       5.4
          44.0       2.6
          45.0      10.5
          46.0       7.8
          47.0       1.3
          50.0       1.1
          53.0       1.1
          55.0       4.5
          57.0       7.7
          58.0      64.4
          59.0       3.4
          60.0       6.0
          70.0       1.3
          73.0      17.1
          74.0       1.4
          76.0       1.4
          78.0       1.0
         100.0     100.0
         101.0       5.2
         102.0       4.8
    

parameter in DMSO-d6

parameter in CF3COOH

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    1H NMR 300 MHz
    C3 H4 N2 S 7.9 wt% in DMSO
    2-aminothiazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.93 D(B) 6.53 J(A,B) 3.70 D(C) 6.86 DAHLBOM,R. ET AL. ACTA CHEM.SCAND. 17, 2518 (1963)

         Hz     ppm     Int.
    

       2080.88   6.936    247
       2077.18   6.924    263
       2058.00   6.860   1000
       1960.82   6.536    262
       1957.13   6.524    247
    

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    1H NMR 300 MHz
    C3 H4 N2 S 10.9 wt% in CF3COOH
    2-aminothiazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.14 D(B) 6.76 J(A,B) 4.65 D(C) 11.42 DAHLBOM,R. ET AL. ACTA CHEM.SCAND. 17, 2518 (1963)

         Hz     ppm     Int.
    

       3426.01  11.420   1000
       2144.35   7.148    242
       2139.75   7.132    262
       2030.26   6.768    262
       2025.66   6.752    242
    

in CDCl3

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KBr disc

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nujol mull

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