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4005-51-0

2-氨基-1,3,4-噻二唑(4005-51-0)Raman光譜

產(chǎn)品名稱:2-氨基-1,3,4-噻二唑

CAS:4005-51-0

分子式:C2H3N3S

分子量: 101.13

InChI:InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)

InChIKey: QUKGLNCXGVWCJX-UHFFFAOYSA-N

Smiles:S1C=NN=C1N

  • 圖譜
    Mass 

    MS-NW-9341          
2-amino-1,3,4-thiadiazole
C2H3N3S             (Mass of molecular ion:    101)


       Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          13.0       1.2
      18.0       4.3
      27.0       2.7
      28.0      13.6
      29.0       2.4
      32.0       6.7
      33.0       1.6
      41.0       1.8
      42.0      10.2
      43.0       7.6
      44.0       2.8
      45.0      14.1
      46.0       5.8
      47.0       5.9
      58.0       2.5
      59.0       7.0
      60.0      13.1
      74.0      68.3
      75.0       1.9
      76.0       3.3
     101.0     100.0
     102.0       7.6
     103.0       4.6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C2 H3 N3 S 0.039 g : 0.5 ml DMSO-d6
    2-amino-1,3,4-thiadiazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.595
      B             7.24
  

         Hz     ppm     Int.


       3435.36   8.596   1000
   3434.45   8.594    538
   2892.76   7.239    474

in DMSO-d6

  • 圖譜

KBr disc

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nujol mull

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