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Back ChemicalBook Home>CAS DataBase List>5451-40-1More Spectrum> 2,6-Dichloropurine(5451-40-1) 13C NMR

5451-40-1

2,6-Dichloropurine(5451-40-1) 13C NMR

Product Name2,6-Dichloropurine

CAS5451-40-1

Molecular FormulaC5H2Cl2N4

Molecular Weight189

InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

InChIKey RMFWVOLULURGJI-UHFFFAOYSA-N

SmilesN1C2C(=NC(Cl)=NC=2Cl)NC=1

  • 2,6-Dichloropurine(5451-40-1) <sup>13</sup>C NMR
    Mass

    MS-IW-0065          
    2,6-dichloropurine
    C5H2Cl2N4           (Mass of molecular ion:    188)
    

       Source Temperature: 200 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       1.0
          28.0       6.6
          38.0       4.8
          39.0       1.9
          47.0       3.4
          49.0       1.1
          53.0       3.4
          62.0       1.7
          64.0       3.2
          65.0       5.1
          66.0       1.0
          73.0       4.3
          74.0       1.8
          75.0       1.6
          76.0       1.0
          86.0       2.8
          88.0       1.0
          91.0       2.6
          92.0      13.1
          94.0       1.1
          99.0       3.3
         100.0       2.1
         101.0       1.5
         108.0       1.5
         118.0       5.5
         119.0       1.9
         126.0       3.8
         128.0       1.2
         134.0       2.2
         136.0       1.4
         153.0      41.7
         154.0       3.6
         155.0      14.1
         156.0       1.1
         160.0       1.0
         184.0       1.4
         188.0     100.0
         189.0       7.6
         190.0      64.4
         191.0       4.9
         192.0      10.5
    

parameter in CDCl3

  • 2,6-Dichloropurine(5451-40-1) <sup>13</sup>C NMR

    1H NMR 300 MHz
    C5 H2 Cl2 N4 0.032 g : 0.5 ml DMSO-d6
    2,6-dichloropurine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 14. D(B) 8.756

         Hz     ppm     Int.
    

       4200.00  14.000     33
       2626.80   8.756   1000
    

in DMSO-d6

  • 2,6-Dichloropurine(5451-40-1) <sup>13</sup>C NMR

KBr disc

  • 2,6-Dichloropurine(5451-40-1) <sup>13</sup>C NMR

nujol mull

  • 2,6-Dichloropurine(5451-40-1) <sup>13</sup>C NMR

2,6-Dichloropurine(5451-40-1) 13C NMR Atlas of Related Products

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