Parabanic acid(120-89-8) IR1
Product NameParabanic acid
CAS120-89-8
Molecular FormulaC3H2N2O3
Molecular Weight114.06
InChIInChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
InChIKey ZFLIKDUSUDBGCD-UHFFFAOYSA-N
SmilesC1(=O)NC(=O)C(=O)N1
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MassMS-NW-1175 imidazolidinetrione C3H2N2O3 (Mass of molecular ion: 114)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 1.8 16.0 1.0 18.0 2.4 26.0 1.2 27.0 4.2 28.0 5.3 29.0 6.2 30.0 1.1 41.0 1.1 42.0 10.9 43.0 100.0 44.0 67.2 45.0 1.2 54.0 1.0 70.0 7.8 71.0 4.1 86.0 30.3 114.0 32.0 115.0 1.4
KBr disc
nujol mull
4880 A,200 M,powder
