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返回ChemicalBook首页>CAS数据库列表>27511-79-1更多图谱> 3-氨基-4-甲酰胺基吡唑半硫酸盐(27511-79-1)红外图谱(IR2)

27511-79-1

3-氨基-4-甲酰胺基吡唑半硫酸盐(27511-79-1)红外图谱(IR2)

分子式:C8H14N8O6S

分子量: 350.31

InChI:InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)

InChIKey: UMPKASYMNORSRO-UHFFFAOYSA-N

Smiles:C1(C(=O)N)=CNN=C1N.C1(C(=O)N)=CNN=C1N.S(=O)(=O)(O)O

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    Mass

    MS-IW-0724          
    3-amino-4-pyrazolecarboxamide hemisulfate
    C4H6N4O 1/2H2O4S    (Mass of molecular ion:    126)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          27.0       1.9
          28.0       8.9
          29.0       1.6
          39.0       1.1
          40.0       2.4
          41.0       1.1
          43.0       6.5
          44.0       4.4
          48.0       4.0
          51.0       1.0
          52.0      12.8
          53.0       9.8
          54.0       9.8
          55.0       2.3
          64.0       9.5
          66.0       1.4
          67.0       1.6
          68.0       2.1
          80.0      10.2
          81.0       3.7
          83.0       1.0
         108.0       7.5
         109.0      92.8
         110.0      24.4
         111.0       1.4
         126.0     100.0
         127.0       6.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H6 N4 O 0.037 g : 0.5 ml DMSO-d6
    3-amino-4-pyrazolecarboxamide hemisulfate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.104

         Hz     ppm     Int.
    

       3251.50   8.136     67
       3239.14   8.105   1000
       3232.27   8.088     96
       3227.39   8.076     96
    

in DMSO-d6

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KBr disc

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nujol mull

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