ALPHA-ETHYL-3-HYDROXY-4-METHYLPHENETHYLAMINE HYDROCHLORIDE(29440-91-3) IR1
Molecular FormulaC11H18ClNO
Molecular Weight215.72
InChIInChI=1S/C11H17NO.ClH/c1-3-10(12)6-9-5-4-8(2)11(13)7-9;/h4-5,7,10,13H,3,6,12H2,1-2H3;1H
InChIKey SOQVPIWPZBXBGG-UHFFFAOYSA-N
SmilesC1(CC(N)CC)=CC=C(C)C(O)=C1.Cl
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H17 N O 0.019 g : 0.5 ml DMSO-d6 5-(2-aminobutyl)-o-cresol hydrochloride 
Assign. Shift(ppm)
A 8.77 B 7.631 C 7.320 D 7.215 E 3.793 F *1 3.502 G *1 3.269 J 2.718 K 2.14 L 1.539 J(B,D)=7.8HZ. J(C,D)=1.4HZ. J(E,F)=5.5HZ. J(E,G)=8.5HZ. J(G,F)=-13.7HZ.
Hz ppm Int.3505.49 8.772 171 3053.83 7.642 158 3046.02 7.622 173 2926.03 7.322 222 2924.68 7.319 241 2888.06 7.227 130 2886.60 7.223 126 2880.37 7.208 120 2879.03 7.204 118 1523.19 3.812 45 1522.71 3.811 46 1521.24 3.807 40 1520.75 3.806 41 1520.02 3.804 42 1518.19 3.799 48 1516.60 3.795 61 1515.50 3.793 58 1515.01 3.791 60 1511.96 3.784 41 1511.35 3.782 42 1510.38 3.780 41 1509.40 3.777 46 1508.54 3.775 51 1409.55 3.527 62 1404.05 3.514 60 1395.87 3.493 79 1390.38 3.479 69 1316.65 3.295 82 1307.98 3.273 83 1305.05 3.266 32 1302.86 3.261 70 1294.56 3.240 63 1086.30 2.719 1000 875.00 2.190 30 874.51 2.189 31 867.68 2.172 69 864.99 2.165 36 862.30 2.158 69 859.99 2.152 99 856.69 2.144 45 854.61 2.139 73 851.93 2.132 108 849.00 2.125 35 848.14 2.123 34 846.56 2.119 41 844.73 2.114 84 837.40 2.096 41 622.31 1.558 285 614.99 1.539 611 607.42 1.520 256
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1H NMR 89.56 MHz C11 H17 N O 0.034 g : 0.5 ml DMSO-d6 5-(2-aminobutyl)-o-cresol hydrochloride Assign. Shift(ppm)
A 9.3 B 8.2 C 6.979 D 6.719 E 6.580 F 3.15 G 3.07 to 2.51 J 2.084 K 1.52 L 0.915 DMSO SIGNAL AT 2.5 PPM REMOVED.
Hz ppm Int.629.44 7.029 144 622.00 6.946 214 601.13 6.713 260 593.06 6.622 163 591.75 6.608 138 585.63 6.539 109 584.13 6.523 100 282.06 3.150 79 276.50 3.088 77 271.19 3.029 91 258.06 2.882 107 253.06 2.826 83 252.75 2.823 83 245.38 2.740 110 236.56 2.642 79 186.63 2.084 1000 143.69 1.605 92 136.56 1.525 136 136.19 1.521 136 130.38 1.456 123 88.06 0.984 261 81.19 0.907 498 73.38 0.820 140
in DMSO-d6
KBr disc
