L(+)-Leucinol(7533-40-6) IR1
Product NameL(+)-Leucinol
CAS7533-40-6
Molecular FormulaC6H15NO
Molecular Weight117.19
InChIInChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKey VPSSPAXIFBTOHY-LURJTMIESA-N
SmilesC(O)[C@@H](N)CC(C)C
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MassMS-NW-5619 L-2-amino-4-methyl-1-pentanol C6H15NO (Mass of molecular ion: 117)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.9 18.0 7.3 27.0 10.3 28.0 10.5 29.0 5.3 30.0 69.3 31.0 4.2 39.0 6.7 40.0 1.4 41.0 19.6 42.0 20.5 43.0 35.5 44.0 81.2 45.0 2.3 53.0 1.2 54.0 1.0 55.0 2.3 56.0 10.2 57.0 6.4 58.0 1.2 59.0 1.2 60.0 44.4 61.0 1.3 67.0 1.3 69.0 2.7 70.0 2.5 84.0 3.6 86.0 100.0 87.0 6.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H15 N O 0.04 ml : 0.5 ml CDCl3 L-2-amino-4-methyl-1-pentanol 
Assign. Shift(ppm)
A *1 3.535 B *1 3.236 C 2.90 D 2.52 E 1.67 F 1.18 G *2 0.930 J *2 0.901 J(E,G)=6.5HZ. J(E,J)=6.3HZ. J(A,B)=-10.4HZ. J(A,C)=3.8HZ. J(B,C)=7.6HZ.
Hz ppm Int.325.75 3.638 111 321.94 3.595 146 315.25 3.520 248 311.50 3.479 281 298.50 3.333 215 290.88 3.248 301 288.06 3.217 89 280.44 3.132 209 271.63 3.033 52 267.94 2.992 42 265.19 2.962 80 261.44 2.920 68 260.75 2.912 61 258.44 2.886 62 257.63 2.877 63 254.69 2.844 59 250.94 2.802 41 247.13 2.760 34 225.63 2.520 764 159.94 1.786 48 153.31 1.712 67 146.81 1.640 65 145.88 1.629 63 139.56 1.559 45 112.63 1.258 297 106.00 1.184 448 99.50 1.111 168 98.69 1.102 186 86.25 0.964 929 83.56 0.934 1000 79.75 0.891 786 77.19 0.862 802
in CDCl3
liquid film
4880 A,200 M,liquid
