1,3-Diethylurea(623-76-7) Raman
Product Name1,3-Diethylurea
CAS623-76-7
Molecular FormulaC5H12N2O
Molecular Weight116.16
InChIInChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey ZWAVGZYKJNOTPX-UHFFFAOYSA-N
SmilesN(CC)C(NCC)=O
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MassMS-NW-0205 1,3-diethylurea C5H12N2O (Mass of molecular ion: 116)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 3.0 18.0 4.9 27.0 10.4 28.0 8.6 29.0 18.7 30.0 100.0 31.0 1.3 40.0 1.1 41.0 1.8 42.0 6.4 43.0 4.0 44.0 51.8 45.0 4.0 46.0 2.3 56.0 1.3 58.0 1.0 60.0 2.2 72.0 6.4 73.0 4.0 88.0 1.6 101.0 3.6 116.0 45.8 117.0 6.8
parameter in D2O
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1H NMR 300 MHz C5 H12 N2 O 0.043 g : 0.5 ml D2O 1,3-diethylurea 
Parameter ppm Hz
D(A) 3.105 D(B) 1.085 J(A,B) 7.3
Hz ppm Int.942.52 3.142 160 935.22 3.117 489 927.92 3.093 503 920.64 3.069 173 332.77 1.109 510 325.46 1.085 1000 318.16 1.061 486
in DMSO-d6
in D2O
CCl4 solution
KBr disc
nujol mull
