1,3-Dimethylurea (96-31-1) IR2
Product Name1,3-Dimethylurea
CAS96-31-1
Molecular FormulaC3H8N2O
Molecular Weight88.11
InChIInChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey MGJKQDOBUOMPEZ-UHFFFAOYSA-N
SmilesN(C)C(NC)=O
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MassMS-NW-4955 1,3-dimethylurea C3H8N2O (Mass of molecular ion: 88)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 22.5 18.0 4.1 26.0 1.0 27.0 9.2 28.0 37.9 29.0 9.5 30.0 100.0 31.0 42.5 32.0 2.0 41.0 1.0 42.0 3.7 43.0 3.2 44.0 5.4 55.0 1.8 56.0 9.3 57.0 22.8 58.0 44.5 59.0 3.3 69.0 2.5 70.0 3.1 88.0 49.5 89.0 2.3
parameter in DMSO-d6
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1H NMR 300 MHz C3 H8 N2 O in DMSO-d6 N,N'-dimethylurea 
Parameter ppm Hz
D(A) 5.69 D(B) 2.54 STILBS,P. & FORSEN,S. ORG.MAGN.RESON. 8, 384 (1976) J(1)(A,N-15):88.7HZ. J(3)(A,B):4.7HZ. J(2)(N-15,N-15):5.3HZ. J(2)(B,N-15):0.7HZ.
Hz ppm Int.1707.01 5.690 333 762.01 2.540 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
