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Back ChemicalBook Home>CAS DataBase List>768-94-5More Spectrum> Amantadine(768-94-5) IR2

Amantadine(768-94-5) IR2

Product NameAmantadine

CAS768-94-5

Molecular FormulaC10H17N

Molecular Weight151.25

InChIInChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

InChIKey DKNWSYNQZKUICI-UHFFFAOYSA-N

SmilesC12(N)CC3CC(CC(C3)C1)C2


  • Mass

    MS-NW-6197          
    1-adamantanamine
    C10H17N             (Mass of molecular ion:    151)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       2.2
          27.0       1.7
          28.0       1.7
          29.0       1.2
          30.0       2.4
          39.0       3.3
          41.0       5.0
          42.0       3.8
          53.0       1.6
          54.0       1.0
          55.0       1.2
          56.0       1.0
          57.0      11.6
          58.0       4.3
          65.0       1.2
          67.0       1.9
          77.0       3.3
          79.0       2.2
          80.0       1.2
          81.0       1.4
          82.0       1.2
          91.0       2.1
          93.0       2.5
          94.0     100.0
          95.0       9.5
         108.0       5.0
         151.0      17.5
         152.0       2.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H17 N 0.043 g : 0.5 ml CDCl3
    1-adamantanamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.05 B 1.76 to 1.42 C 1.28

         Hz     ppm     Int.
    

        183.38   2.048    180
        157.38   1.758     25
        157.00   1.754     25
        156.44   1.747     25
        155.69   1.739     23
        154.81   1.729     22
        147.75   1.650    407
        142.69   1.594   1000
        139.75   1.561    747
        132.19   1.476     27
        131.81   1.472     28
        128.31   1.433     28
        114.25   1.276    667
    

in CDCl3



KBr disc



liquid film



nujol mull



4880 A,200 M,powder



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