2-METHYLBUTYRONITRILE(18936-17-9) IR1
Product Name2-METHYLBUTYRONITRILE
CAS18936-17-9
Molecular FormulaC5H9N
Molecular Weight83.13
InChIInChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
InChIKey RCEJCSULJQNRQQ-UHFFFAOYSA-N
SmilesC(#N)C(C)CC
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MassMS-NW-1030 2-methylbutyronitrile C5H9N (Mass of molecular ion: 83)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.4 18.0 1.0 26.0 3.1 27.0 14.3 28.0 6.0 29.0 24.4 38.0 1.2 39.0 5.7 40.0 1.4 41.0 8.6 42.0 1.3 51.0 1.5 52.0 2.6 53.0 1.5 54.0 37.8 55.0 100.0 56.0 4.7 68.0 1.3 82.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 N 0.04 ml : 0.5 ml CDCl3 2-methylbutyronitrile 
Assign. Shift(ppm)
A 2.552 B 1.63 C 1.316 D 1.08
Hz ppm Int.233.69 2.610 96 226.56 2.530 118 219.38 2.450 70 153.56 1.715 127 153.13 1.710 135 146.94 1.641 112 145.81 1.629 204 139.88 1.562 81 139.00 1.553 211 121.00 1.352 1000 114.00 1.273 818 104.31 1.165 164 103.44 1.155 298 102.63 1.146 212 96.75 1.081 541 95.88 1.071 269 94.94 1.061 137 89.88 1.004 87 88.88 0.993 157 87.50 0.977 102
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
