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METHYLAMINOACETONITRILE(5616-32-0) IR1
Product NameMETHYLAMINOACETONITRILE
CAS5616-32-0
Molecular FormulaC3H6N2
Molecular Weight70.09
InChIInChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3
InChIKey PVVRRUUMHFWFQV-UHFFFAOYSA-N
SmilesC(#N)CNC
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MassMS-NW-2846 (methylamino)acetonitrile C3H6N2 (Mass of molecular ion: 70)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.4 13.0 1.4 14.0 3.3 15.0 28.5 18.0 1.1 20.5 1.8 26.0 9.8 27.0 66.8 28.0 21.0 29.0 1.3 30.0 3.4 38.0 3.8 39.0 5.2 40.0 16.2 41.0 21.4 42.0 100.0 43.0 50.0 44.0 12.8 53.0 1.0 69.0 19.0 70.0 11.6
parameter in CDCl3
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1H NMR 300 MHz C3 H6 N2 0.05 ml : 0.5 ml CDCl3 (methylamino)acetonitrile 
Parameter ppm Hz
D(A) 3.571 D(B) 2.543 D(C) 1.4
Hz ppm Int.1071.30 3.571 667 762.89 2.543 1000
liquid film
