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73-24-5

腺嘌呤(73-24-5)質(zhì)譜(MS)

產(chǎn)品名稱:腺嘌呤

CAS:73-24-5

分子式:C5H5N5

分子量: 135.13

InChI:InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)

InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

Smiles:N1C2C(=NC=NC=2N)NC=1

  • 圖譜
    Mass 

    MS-NW-8155          
adenine
C5H5N5              (Mass of molecular ion:    135)


       Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV


          17.0       2.0
      18.0      12.0
      27.0       2.2
      28.0      21.8
      29.0       5.3
      38.0       2.1
      39.0       2.3
      40.0       1.9
      43.0       5.3
      53.0       7.4
      54.0      13.7
      55.0       2.4
      56.0       2.1
      65.0       2.1
      66.0       7.1
      67.0       2.3
      70.0       4.0
      80.0       3.7
      81.0      12.2
      92.0       1.7
     107.0       2.1
     108.0      32.0
     109.0       1.9
     119.0       1.1
     134.0       2.7
     135.0     100.0
     136.0       7.4

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H5 N5 0.034 g : 0.5 ml CDCl3
    adenine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            12.8
      B             8.138
      C             8.113
      D             7.09
  

         Hz     ppm     Int.


        728.88   8.139   1000
    726.66   8.114    903
    723.75   8.082     76
    723.33   8.077     75
    721.11   8.052     51
    719.65   8.036     38
    635.23   7.093    304

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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