768-94-5

Amantadine(768-94-5) IR2

Product NameAmantadine

CAS 768-94-5

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

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Amantadine(768-94-5) IR2
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

Amantadine(768-94-5) IR2

¹H NMR	89.56 MHz
C₁₀ H₁₇ N	0.043 g : 0.5 ml CDCl₃
1-adamantanamine

    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