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Back ChemicalBook Home>CAS DataBase List>2922-28-3More Spectrum> Adenine hydrochloride (2922-28-3) 1H NMR

2922-28-3

Adenine hydrochloride (2922-28-3) 1H NMR

Molecular FormulaC5H6ClN5

Molecular Weight171.59

InChIInChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H

InChIKey UQVDQSWZQXDUJB-UHFFFAOYSA-N

SmilesC12N=CNC=1N=CN=C2N.Cl

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR
    Mass

    MS-NW-0241          
    adenine hydrochloride
    C5H5N5 HCl          (Mass of molecular ion:    135)
    

       Source Temperature: 200 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          17.0       3.9
          18.0      15.8
          27.0       3.0
          28.0      29.3
          29.0       6.0
          35.0      11.2
          36.0      62.5
          37.0       4.0
          38.0      22.0
          39.0       3.9
          40.0       2.8
          43.0       5.4
          53.0      12.3
          54.0      14.1
          55.0       3.0
          56.0       1.4
          64.0       1.6
          65.0       2.5
          66.0       8.2
          67.0       2.5
          68.0       3.0
          70.0       3.4
          80.0       3.7
          81.0      11.0
          92.0       1.9
          93.0       1.1
         107.0       2.1
         108.0      29.6
         109.0       2.2
         118.0       1.0
         119.0       1.1
         134.0       3.6
         135.0     100.0
         136.0       7.1
    

400 MHz DMSO-d6

90 MHz in D2O

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C5 H5 N5 0.039 g : 0.5 ml DMSO-d6
    adenine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 9.5 B *1 9.1 C 8.632 D 8.610

         Hz     ppm     Int.
    

       3801.27   9.512     36
       3648.99   9.131     35
       3449.86   8.633    911
       3441.31   8.611   1000
    

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR

    1H NMR 89.56 MHz
    C5 H5 N5 saturated in D2O
    adenine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.480 B 8.420 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        764.13   8.533     39
        763.50   8.526     43
        763.19   8.522     51
        759.56   8.482   1000
        757.00   8.453    107
        754.19   8.422    970
        751.75   8.394     72
        751.44   8.391     68
        750.31   8.378     55
        749.56   8.370     54
        748.44   8.357     45
        747.88   8.351     39
    

in D2O

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR

KBr disc

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR

nujol mull

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR

  • Adenine hydrochloride (2922-28-3) <sup>1</sup>H NMR

Adenine hydrochloride (2922-28-3) 1H NMR Atlas of Related Products

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