2-METHYL-6-NITROBENZONITRILE(1885-76-3) MS
Product Name2-METHYL-6-NITROBENZONITRILE
CAS1885-76-3
Molecular FormulaC8H6N2O2
Molecular Weight162.15
InChIInChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
InChIKey BOTPDHNZLRJZOO-UHFFFAOYSA-N
SmilesC(#N)C1=C([N+]([O-])=O)C=CC=C1C
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MassMS-NW-7958 2-methyl-6-nitrobenzonitrile C8H6N2O2 (Mass of molecular ion: 162)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.5 26.0 1.0 27.0 3.3 28.0 2.1 30.0 19.7 37.0 3.0 38.0 4.2 39.0 18.9 40.0 1.6 41.0 2.2 50.0 6.2 51.0 8.8 52.0 2.8 53.0 1.3 61.0 3.6 62.0 7.4 63.0 19.7 64.0 7.2 65.0 4.0 66.0 1.0 74.0 1.9 75.0 4.1 76.0 4.7 77.0 17.7 78.0 4.9 86.0 1.2 87.0 3.2 88.0 6.8 89.0 100.0 90.0 14.4 91.0 2.7 102.0 1.9 103.0 1.5 104.0 12.3 105.0 2.9 114.0 3.2 115.0 3.2 116.0 36.1 117.0 3.8 132.0 26.1 133.0 2.6 146.0 1.0 162.0 24.3 163.0 2.8
in CDCl3
KBr disc
nujol mull
