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返回ChemicalBook首页>CAS数据库列表>4005-51-0更多图谱> 2-氨基-1,3,4-噻二唑(4005-51-0)核磁图(13CNMR)

4005-51-0

2-氨基-1,3,4-噻二唑(4005-51-0)核磁图(13CNMR)

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

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    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

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    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

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KBr disc

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nujol mull

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