2-Methyl-4-nitroimidazole(696-23-1) IR2
Product Name2-Methyl-4-nitroimidazole
CAS696-23-1
Molecular FormulaC4H5N3O2
Molecular Weight127.1
InChIInChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChIKey FFYTTYVSDVWNMY-UHFFFAOYSA-N
SmilesC1(C)NC([N+]([O-])=O)=CN=1
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MassMS-NW-8096 2-methyl-5-nitroimidazole C4H5N3O2 (Mass of molecular ion: 127)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 7.4 18.0 3.0 26.0 11.4 27.0 20.7 28.0 40.9 29.0 1.2 30.0 11.5 38.0 2.0 39.0 3.5 40.0 16.2 41.0 6.8 42.0 61.8 43.0 100.0 44.0 2.8 51.0 3.9 52.0 11.0 53.0 12.4 54.0 63.8 55.0 5.1 66.0 1.3 67.0 1.0 69.0 10.9 70.0 6.9 79.0 1.0 80.0 2.9 81.0 35.9 82.0 2.0 83.0 1.4 111.0 2.6 125.0 1.1 127.0 72.9 128.0 5.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H5 N3 O2 0.039 g : 0.5 ml DMSO-d6 2-methyl-5-nitroimidazole 
Assign. Shift(ppm)
A 8.217 B 2.348
Hz ppm Int.3283.94 8.218 340 938.72 2.349 1000
in DMSO-d6
KBr disc
nujol mull
