Urea(57-13-6) IR1
Molecular FormulaCH4N2O
Molecular Weight60.06
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKey XSQUKJJJFZCRTK-UHFFFAOYSA-N
SmilesNC(N)=O
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MassMS2014-05099CW urea CH4N2O (Mass of molecular ion: 60)
Source Temperature: 240 °C Sample Temperature: 20 °C Direct, 70 eV
15.0 2.0 16.0 21.1 17.0 75.6 18.0 24.4 27.0 3.3 28.0 8.7 29.0 8.7 30.0 2.2 31.0 5.7 41.0 4.2 42.0 14.3 43.0 62.0 44.0 98.0 45.0 3.1 60.0 100.0 61.0 15.0
parameter in acetone+DMSO+tetramethylurea
in DMSO-d6
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1H NMR 300 MHz C H4 N2 O in acetone+DMSO+tetramethylurea urea 
Parameter ppm Hz
D(A) 5.6 STILBS,P. & FORSEN,S. ORG.MAGN.RESON. 8, 384 (1976) J(1)(A,N-15):86.8HZ. J(3)(A,N-15):1.7HZ. J(4)(A,A):1.0HZ. J(2)(N-15,N-15):5.1HZ.
Hz ppm Int.1680.00 5.600 1000
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in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
