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624-18-0

对苯二胺盐酸盐(624-18-0)核磁图(1HNMR)

产品名称:对苯二胺盐酸盐

CAS:624-18-0

分子式:C6H10Cl2N2

分子量: 181.06

InChI:InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H

InChIKey: IYXMNTLBLQNMLM-UHFFFAOYSA-N

Smiles:C1(N)C=CC(N)=CC=1.Cl.Cl

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    Mass

    MS-NW-8196          
    p-phenylenediamine dihydrochloride
    C6H8N2 2HCl         (Mass of molecular ion:    108)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.2
          27.0       1.4
          28.0       4.3
          35.0       4.6
          36.0      45.9
          37.0       1.6
          38.0      14.9
          39.0       1.9
          40.0       1.4
          41.0       2.2
          42.0       1.0
          51.0       1.5
          52.0       5.2
          53.0       8.0
          53.5       1.1
          54.0       8.8
          55.0       1.4
          63.0       1.4
          64.0       1.5
          65.0       1.5
          67.0       1.9
          79.0       1.3
          80.0      23.1
          81.0      11.0
          82.0       1.2
          91.0       2.3
         107.0      18.8
         108.0     100.0
         109.0       7.2
    

parameter in D2O

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    1H NMR 300 MHz
    C6 H8 N2 0.044 g : 0.5 ml D2O
    p-phenylenediamine dihydrochloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.561

         Hz     ppm     Int.
    

       2268.30   7.561   1000
    

in D2O

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KBr disc

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nujol mull

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