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
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MassMS-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
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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
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
