5,5-Dimethylhydantoin(77-71-4) IR2
Product Name5,5-Dimethylhydantoin
CAS77-71-4
Molecular FormulaC5H8N2O2
Molecular Weight128.13
InChIInChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKey YIROYDNZEPTFOL-UHFFFAOYSA-N
SmilesC1(=O)NC(C)(C)C(=O)N1
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MassMS-NW-0254 5,5-dimethylhydantoin C5H8N2O2 (Mass of molecular ion: 128)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 5.4 26.0 1.0 27.0 3.0 28.0 3.6 29.0 1.0 38.0 1.5 39.0 8.2 40.0 3.1 41.0 9.7 42.0 100.0 43.0 2.8 44.0 1.9 56.0 1.9 57.0 25.6 58.0 1.1 70.0 3.8 100.0 14.3 113.0 58.7 114.0 3.6 128.0 34.5 129.0 2.2
parameter in D2O
90 MHz in CDCl3
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1H NMR 300 MHz C5 H8 N2 O2 0.040 g : 0.5 ml D2O 5,5-dimethylhydantoin 
Parameter ppm Hz
D(A) 1.435
Hz ppm Int.430.50 1.435 1000
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1H NMR 89.56 MHz C5 H8 N2 O2 0.040 g : 0.5 ml D2O 5,5-dimethylhydantoin Assign. Shift(ppm)
B 1.436 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.128.63 1.437 1000
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
