1-AMINO-2-BUTANOL(13552-21-1) MS
Product Name1-AMINO-2-BUTANOL
CAS13552-21-1
Molecular FormulaC4H11NO
Molecular Weight89.14
InChIInChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKey KODLUXHSIZOKTG-UHFFFAOYSA-N
SmilesC(N)C(O)CC
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MassMS-NW-4211 1-amino-2-butanol C4H11NO (Mass of molecular ion: 89)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.1 18.0 1.7 27.0 3.2 28.0 6.4 29.0 2.5 30.0 100.0 31.0 20.0 32.0 12.5 39.0 1.3 41.0 5.2 42.0 6.5 43.0 2.0 56.0 1.0 57.0 1.1 58.0 1.6 59.0 4.7 60.0 11.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H11 N O 0.04 ml : 0.5 ml CDCl3 1-amino-2-butanol 
Assign. Shift(ppm)
A 3.43 B *1 2.770 C *1 2.536 D 2.38 E 1.437 F 0.96 J(B,C)=-12.7HZ. J(A,B)=3.5HZ. J(A,C)=8.0HZ.
Hz ppm Int.316.38 3.533 31 313.81 3.504 58 311.94 3.484 45 310.38 3.466 62 308.44 3.444 52 305.88 3.416 73 304.19 3.397 41 302.31 3.376 75 299.56 3.345 41 296.06 3.306 41 259.06 2.893 94 255.56 2.854 104 246.38 2.752 293 242.88 2.712 247 236.00 2.636 272 228.00 2.546 220 223.31 2.494 101 215.25 2.404 173 213.06 2.379 1000 139.06 1.553 37 137.00 1.530 123 133.25 1.488 32 131.00 1.463 138 129.56 1.447 176 125.81 1.405 41 123.06 1.375 216 121.94 1.362 79 117.13 1.308 63 115.88 1.294 63 91.69 1.024 334 85.00 0.950 584 83.00 0.927 134 77.13 0.862 152 75.56 0.844 87
in CDCl3
liquid film
4880 A,200 M,liquid
