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Parabanic acid

View entire compound with spectra: 6 NMR, 6 FTIR, 1 Raman, 1 UV-Vis, and 5 MS (GC)

Parabanic acid
SpectraBase Compound ID GZxYgOCTXID
InChI InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
InChIKey ZFLIKDUSUDBGCD-UHFFFAOYSA-N
Mol Weight 114.06 g/mol
Molecular Formula C3H2N2O3
Exact Mass 114.006542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd2Yt7piYmG
Name 2,4,5-Imidazolidinetrione
Alternate Name(s) 2,4,5-Imidazolinetrione 2,4,5-Trioxoimidazolidine Imidazole-trione Imidazolidine-2,4,5-trione Imidazolidinetrione Oxalylurea Parabanic acid Trioxoimidazolidine AI3-60193 EINECS 204-434-3 NSC 9789
CAS Registry Number 120-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H2N2O3
InChI InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
InChIKey ZFLIKDUSUDBGCD-UHFFFAOYSA-N
Molecular Weight 114.060 g/mol
SMILES N1C(NC(=O)C1=O)=O
SPLASH splash10-0006-9100000000-86a7f28d60e7bd8100fb
Source of Spectrum O-14-471-1
Wiley ID 1124058