Methacrylonitrile(126-98-7) MS
Product NameMethacrylonitrile
CAS126-98-7
Molecular FormulaC4H5N
Molecular Weight67.09
InChIInChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InChIKey GYCMBHHDWRMZGG-UHFFFAOYSA-N
SmilesC(#N)C(C)=C
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MassMS-NW-0806 methacrylonitrile C4H5N (Mass of molecular ion: 67)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 26.0 3.1 27.0 11.6 28.0 5.0 36.0 2.0 37.0 13.7 38.0 16.8 39.0 45.7 40.0 24.8 41.0 100.0 42.0 2.0 50.0 2.3 51.0 10.6 52.0 23.9 62.0 1.7 63.0 4.0 64.0 9.4 65.0 3.1 66.0 25.0 67.0 65.3 68.0 3.6
parameter in benzene-d6
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1H NMR 300 MHz C4 H5 N 30 % in benzene-d6 methacrylonitrile 
Parameter ppm Hz
D(A) 5.450 D(B) 5.302 D(C) 1.612 J(A,B) 0.73 J(A,C) -1.20 J(B,C) -1.71 WENDISCH,D. Z.NATURFORSCH. 23 B, 616 (1968)
Hz ppm Int.
1635.96 5.453 246 1635.17 5.451 293 1634.06 5.447 248 1593.50 5.312 82 1592.75 5.309 100 1591.82 5.306 222 1591.11 5.304 229 1590.10 5.300 235 1589.46 5.298 220 1588.46 5.295 101 1587.74 5.292 82 485.06 1.617 754 483.77 1.613 1000 483.45 1.611 1000 482.16 1.607 751
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
