Methylurea(598-50-5) 13C NMR
Product NameMethylurea
CAS598-50-5
Molecular FormulaC2H6N2O
Molecular Weight74.08
InChIInChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey XGEGHDBEHXKFPX-UHFFFAOYSA-N
SmilesN(C)C(N)=O
-
MassMS-NW-1722 N-methylurea C2H6N2O (Mass of molecular ion: 74)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 14.3 16.0 6.0 17.0 7.2 18.0 7.0 26.0 2.2 27.0 9.1 28.0 47.7 29.0 13.0 30.0 100.0 31.0 55.0 32.0 2.0 42.0 13.5 43.0 60.2 44.0 22.1 45.0 1.8 56.0 3.8 57.0 7.6 58.0 8.4 74.0 40.6 75.0 1.3
parameter in D2O
-
1H NMR 300 MHz C2 H6 N2 O 0.041 g : 0.5 ml D2O N-methylurea 
Parameter ppm Hz
D(A) 2.683
Hz ppm Int.804.90 2.683 1000
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
