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73-24-5

腺嘌呤(73-24-5)Raman光谱

产品名称: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

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    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

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    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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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