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96-50-4

2-氨基噻唑(96-50-4)質(zhì)譜(MS)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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