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Back ChemicalBook Home>CAS DataBase List>1910-42-5More Spectrum> Paraquat dichloride(1910-42-5) 1H NMR

1910-42-5

Paraquat dichloride(1910-42-5) 1H NMR

Molecular FormulaC12H14Cl2N2

Molecular Weight257.16

InChIInChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2

InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L

SmilesC1(C=C[N+](C)=CC=1)C1C=C[N+](C)=CC=1.[Cl-].[Cl-]

  • Paraquat dichloride(1910-42-5) <sup>1</sup>H NMR
    Mass

    MS-NW-1950          
    1,1'-dimethyl-4,4'-bipyridinium dichloride
    C12H14Cl2N2 3H2O    (Mass of molecular ion:    256)
    

       Source Temperature: 210 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          15.0      11.7
          18.0       2.0
          26.0       1.9
          28.0       2.1
          35.0       1.5
          36.0       9.7
          38.0       3.1
          39.0       1.9
          47.0       2.0
          48.0       1.1
          49.0       3.3
          50.0      43.1
          51.0      11.1
          52.0      13.1
          62.0       1.5
          63.0       3.8
          74.0       2.4
          75.0       4.6
          76.0       6.8
          77.0       3.3
          78.0       5.0
          79.0       2.4
          89.0       1.7
          93.0       1.1
         101.0       3.8
         102.0       7.1
         103.0       6.9
         104.0       1.6
         116.0       4.6
         127.0       1.0
         128.0       8.6
         129.0       9.6
         130.0       5.0
         155.0      33.2
         156.0     100.0
         157.0      11.6
         170.0       1.6
         171.0      10.6
         172.0       1.5
         186.0       3.1
    

400 MHz in D2O

  • Paraquat dichloride(1910-42-5) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C12 H14 Cl2 N2 0.031 g : 0.5 ml D2O
    1,1'-dimethyl-4,4'-bipyridinium dichloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.099 B 8.576 C 4.550

         Hz     ppm     Int.
    

       3639.89   9.108    242
       3633.06   9.091    259
       3430.66   8.585    201
       3423.83   8.568    191
       1818.60   4.551   1000
    

in D2O

  • Paraquat dichloride(1910-42-5) <sup>1</sup>H NMR

KBr disc

  • Paraquat dichloride(1910-42-5) <sup>1</sup>H NMR

Paraquat dichloride(1910-42-5) 1H NMR Atlas of Related Products

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