1-METHYLHYDANTOIN(616-04-6) MS
Product Name1-METHYLHYDANTOIN
CAS616-04-6
Molecular FormulaC4H6N2O2
Molecular Weight114.1
InChIInChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
InChIKey RHYBFKMFHLPQPH-UHFFFAOYSA-N
SmilesC1(=O)N(C)CC(=O)N1
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MassMS-KW-0505 1-methyl-2,4-imidazolidinedione C4H6N2O2 (Mass of molecular ion: 114)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 3.9 18.0 1.1 28.0 4.6 29.0 1.1 30.0 3.6 40.0 1.8 41.0 3.8 42.0 40.7 43.0 36.8 44.0 2.0 56.0 1.3 70.0 3.8 71.0 5.0 86.0 7.7 114.0 100.0 115.0 5.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H6 N2 O2 0.042 g : 0.5 ml DMSO-d6 1-methyl-2,4-imidazolidinedione 
Assign. Shift(ppm)
A 10.7 B 3.904 C 2.787
Hz ppm Int.4273.64 10.694 33 1560.40 3.905 628 1114.39 2.789 1000
in D2O
in DMSO-d6
KBr disc
4880 A,200 M,powder
