2-Methyleneglutaronitrile(1572-52-7) 13C NMR
Product Name2-Methyleneglutaronitrile
CAS1572-52-7
Molecular FormulaC6H6N2
Molecular Weight106.13
InChIInChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
InChIKey NGCJVMZXRCLPRQ-UHFFFAOYSA-N
SmilesC(#N)C(=C)CCC#N
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MassMS-NW-1035 2-methyleneglutaronitrile C6H6N2 (Mass of molecular ion: 106)
Source Temperature: 240 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.2 26.0 3.9 27.0 5.1 28.0 3.1 37.0 2.8 38.0 3.1 39.0 24.9 40.0 6.2 41.0 1.9 50.0 2.0 51.0 5.4 52.0 10.0 53.0 3.9 54.0 5.6 64.0 3.7 66.0 100.0 67.0 5.1 78.0 2.1 79.0 4.0 106.0 21.3 107.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H6 N2 0.04 ml : 0.5 ml CDCl3 2-methyleneglutaronitrile 
Assign. Shift(ppm)
A *1 6.061 B *1 5.952 C 2.66 to 2.60
Hz ppm Int.542.88 6.062 454 534.38 5.967 116 533.06 5.952 353 237.31 2.650 468 236.38 2.640 1000 236.06 2.636 962 234.00 2.613 169
in CDCl3
CCl4 solution
liquid film
