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返回ChemicalBook首页>CAS数据库列表>38184-47-3更多图谱> 3,5-二甲基吡唑-1-硝酸咪(38184-47-3)核磁图(13CNMR)

38184-47-3

3,5-二甲基吡唑-1-硝酸咪(38184-47-3)核磁图(13CNMR)

分子式:C6H11N5O3

分子量: 201.18

InChI:InChI=1S/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)

InChIKey: AGYXIUAGBLMBGV-UHFFFAOYSA-N

Smiles:N1(C(C)=CC(C)=N1)C(=N)N.[N+]([O-])(=O)O

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    Mass

    MS-IW-0571          
    3,5-dimethyl-1-pyrazolecarboxamidine nitrate
    C6H10N4 HNO3        (Mass of molecular ion:    138)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.4
          27.0       2.5
          28.0       5.7
          29.0       1.1
          30.0       4.1
          39.0       5.2
          40.0       2.0
          41.0       7.8
          42.0      18.6
          43.0       9.7
          46.0      11.4
          52.0       1.3
          53.0       1.2
          54.0       8.9
          55.0       4.9
          56.0       1.5
          65.0       2.4
          66.0       1.4
          67.0       2.2
          68.0       3.0
          69.0       2.4
          81.0       9.4
          95.0      72.7
          96.0     100.0
          97.0       7.3
         138.0      35.4
         139.0       4.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H10 N4 0.039 g : 0.5 ml DMSO-d6
    3,5-dimethyl-1-pyrazolecarboxamidine nitrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.17 B 6.344 C *1 2.489 D *1 2.222

         Hz     ppm     Int.
    

       3663.64   9.168    151
       2535.25   6.344    222
        995.18   2.491    698
        994.42   2.489    727
        888.37   2.223   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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