Rimantadine hydrochloride(1501-84-4) 13C NMR
Product NameRimantadine hydrochloride
CAS1501-84-4
Molecular FormulaC12H22ClN
Molecular Weight215.76
InChIInChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
InChIKey OZBDFBJXRJWNAV-UHFFFAOYSA-N
SmilesC1C2CC3(C(N)C)CC1CC(C3)C2.Cl
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MassMS-IW-8192 1-(1-adamantyl)ethylamine hydrochloride C12H21N HCl (Mass of molecular ion: 179)
Source Temperature: 160 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.6 18.0 8.6 27.0 1.1 28.0 1.5 30.0 1.0 36.0 11.5 38.0 3.7 39.0 1.7 41.0 3.8 42.0 1.6 43.0 71.9 44.0 100.0 45.0 3.2 53.0 1.4 55.0 2.1 65.0 1.1 67.0 3.8 69.0 1.1 77.0 3.2 78.0 1.2 79.0 9.6 80.0 2.0 81.0 2.5 91.0 4.6 92.0 2.8 93.0 8.6 94.0 2.1 105.0 4.5 106.0 2.3 107.0 3.2 119.0 2.0 120.0 1.5 134.0 1.2 135.0 6.3 162.0 4.4 164.0 3.3 177.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H21 N 0.034 g : 0.5 ml CDCl3 1-(1-adamantyl)ethylamine hydrochloride 
Assign. Shift(ppm)
A 8.3 B 2.94 C 2.04 D 1.69 to 1.64 E 1.339
Hz ppm Int.3333.13 8.341 32 3330.69 8.335 38 3328.37 8.329 46 3324.58 8.319 62 3310.55 8.284 161 3309.94 8.283 161 3309.33 8.281 160 3288.82 8.230 34 1174.68 2.940 87 1173.95 2.938 86 1173.34 2.936 85 1172.85 2.935 83 1169.80 2.928 87 1169.19 2.926 87 817.87 2.047 494 672.24 1.683 693 662.60 1.658 1000 650.27 1.628 356 538.57 1.348 914 531.74 1.331 917
in CDCl3
KBr disc
Nujol
