2-METHYLGLUTARONITRILE(4553-62-2) MS
Product Name2-METHYLGLUTARONITRILE
CAS4553-62-2
Molecular FormulaC6H8N2
Molecular Weight108.14
InChIInChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
InChIKey FPPLREPCQJZDAQ-UHFFFAOYSA-N
SmilesC(#N)C(C)CCC#N
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MassMS-NW-3169 2-methylglutaronitrile C6H8N2 (Mass of molecular ion: 108)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.6 26.0 6.5 27.0 15.3 28.0 16.2 29.0 1.1 37.0 2.5 38.0 3.5 39.0 11.6 40.0 7.3 41.0 70.0 42.0 5.6 50.0 1.5 51.0 4.9 52.0 11.8 53.0 7.4 54.0 63.9 55.0 37.0 56.0 1.9 63.0 1.0 64.0 2.5 65.0 1.2 66.0 7.5 67.0 2.0 68.0 100.0 69.0 4.8 79.0 3.6 80.0 6.8 81.0 1.1 107.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H8 N2 0.05 ml : 0.5 ml CDCl3 2-methylglutaronitrile 
Assign. Shift(ppm)
A 2.81 B 2.567 C 1.959 D 1.384
Hz ppm Int.264.19 2.950 62 256.94 2.869 123 249.88 2.791 141 242.63 2.710 89 238.31 2.661 148 237.13 2.648 144 235.75 2.633 54 231.44 2.585 217 230.50 2.574 337 229.94 2.568 301 223.25 2.493 432 185.69 2.074 143 184.94 2.065 144 178.25 1.991 341 174.75 1.952 31 170.81 1.908 232 170.13 1.900 198 164.19 1.834 71 162.81 1.818 69 127.31 1.422 1000 120.25 1.343 868
liquid film
