Nitromethane(75-52-5) MS
Product NameNitromethane
CAS75-52-5
Molecular FormulaCH3NO2
Molecular Weight61.04
InChIInChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKey LYGJENNIWJXYER-UHFFFAOYSA-N
SmilesC[N+]([O-])=O
-
MassMS-NW-1662 nitromethane CH3NO2 (Mass of molecular ion: 61)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.4 15.0 35.8 18.0 1.7 27.0 5.4 28.0 6.6 29.0 6.5 30.0 100.0 31.0 1.3 32.0 1.0 42.0 1.3 43.0 4.0 44.0 5.3 45.0 6.1 46.0 52.3 60.0 7.6 61.0 97.5 62.0 1.6
400 MHz in CDCl3
parameter in CDCl3
-
1H NMR 399.65 MHz C H3 N O2 0.05 ml : 0.5 ml CDCl3 nitromethane 
Assign. Shift(ppm)
A 4.341
Hz ppm Int.1734.99 4.342 1000
-
1H NMR 300 MHz C H3 N O2 5 vol% in TMS nitromethane Parameter ppm Hz
D(A) 5.95 FRANKISS,S.G. J.PHYS.CHEM. 67, 752 (1963) J(A,C-13):146.7HZ.
Hz ppm Int.1785.00 5.950 1000
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
