(S)-(+)-2-Amino-1-butanol(5856-62-2) 1H NMR
Product Name(S)-(+)-2-Amino-1-butanol
CAS5856-62-2
Molecular FormulaC4H11NO
Molecular Weight89.14
InChIInChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKey JCBPETKZIGVZRE-BYPYZUCNSA-N
SmilesC(O)[C@@H](N)CC
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MassMS-NW-6037 (+)-2-amino-1-butanol C4H11NO (Mass of molecular ion: 89)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.7 18.0 5.4 26.0 1.2 27.0 4.6 28.0 10.2 29.0 3.2 30.0 16.1 31.0 3.7 39.0 3.0 41.0 26.7 42.0 15.6 43.0 8.3 44.0 2.2 54.0 1.3 56.0 5.3 57.0 1.8 58.0 100.0 59.0 4.6 60.0 19.0 70.0 1.8
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C4 H11 N O 0.05 ml : 0.5 ml CDCl3 (+)-2-amino-1-butanol 
Assign. Shift(ppm)
A *1 3.568 B *1 3.28 C 3.25 D 2.734 E *2 1.440 F *2 1.289 G 0.938
Hz ppm Int.1430.79 3.581 72 1419.92 3.553 82 1104.37 2.764 30 1096.68 2.745 75 1091.19 2.731 82 1087.40 2.721 75 1079.96 2.703 32 590.58 1.478 58 584.72 1.464 85 583.13 1.460 72 577.15 1.445 132 571.17 1.430 96 569.46 1.425 109 563.60 1.411 86 562.01 1.407 46 556.15 1.392 32 528.44 1.323 106 521.00 1.304 166 514.53 1.288 105 513.55 1.285 132 507.20 1.270 117 499.88 1.251 80 381.96 0.956 589 374.51 0.938 1000 366.94 0.919 496
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1H NMR 89.56 MHz C4 H11 N O 0.05 ml : 0.5 ml CDCl3 (+)-2-amino-1-butanol Assign. Shift(ppm)
A *1 3.55 B *1 3.274 C 2.83 D 2.74 E 1.34 F 0.945 J(A,B)=-10.6HZ, J(A,D)=3.9HZ, J(B,D)=7.5HZ
Hz ppm Int.327.34 3.655 81 323.34 3.611 97 316.60 3.536 178 312.70 3.492 189 301.46 3.367 330 294.04 3.284 402 290.92 3.249 176 283.40 3.165 232 277.93 3.104 40 275.49 3.077 32 274.32 3.063 34 273.93 3.059 35 273.05 3.049 35 272.07 3.038 37 270.80 3.024 40 270.21 3.018 42 270.02 3.015 42 269.53 3.010 42 267.97 2.993 46 253.81 2.834 802 245.41 2.741 274 243.75 2.722 270 239.45 2.674 206 236.52 2.641 144 232.23 2.594 97 227.83 2.544 39 226.95 2.535 38 225.78 2.521 33 225.10 2.514 31 224.71 2.510 31 146.29 1.634 34 141.11 1.576 68 138.48 1.547 53 134.47 1.502 114 132.81 1.483 177 131.15 1.465 76 126.95 1.418 302 125.00 1.396 231 121.39 1.356 193 119.53 1.335 404 112.79 1.260 284 106.74 1.192 155 103.13 1.152 44 100.68 1.125 81 99.22 1.108 80 97.95 1.094 42 97.46 1.089 41 94.34 1.054 113 90.82 1.015 818 83.40 0.932 1000 77.64 0.867 286 76.37 0.853 365 74.51 0.832 232 71.48 0.799 57 69.14 0.772 39 67.77 0.757 35 67.09 0.750 34
in CDCl3
liquid film
4880 A,200 M,liquid
