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4-Nitro-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SpectraBase Compound ID 65gIt8jwtuA
InChI InChI=1S/C4H5N5O4/c10-3-5-1-2(7-3)8(9(12)13)4(11)6-1/h1-2H,(H,6,11)(H2,5,7,10)
InChIKey JKHUCXGVGAGENO-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C4H5N5O4
Exact Mass 187.034154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9coOD8oMmeI
Name 4-Nitro-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CAS Registry Number 97095-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N5O4
InChI InChI=1S/C4H5N5O4/c10-3-5-1-2(7-3)8(9(12)13)4(11)6-1/h1-2H,(H,6,11)(H2,5,7,10)
InChIKey JKHUCXGVGAGENO-UHFFFAOYSA-N
Molecular Weight 187.115 g/mol
SMILES N1C2C(N(C(N2)=O)N(=O)=O)NC1=O
SPLASH splash10-0006-9000000000-d1ea547fb9fe193e83eb
Source of Spectrum AD-0-2532-0
Synonyms 4-Nitro-3,3a,6,6a-tetrahydro-1H-imidaz[4,5-d]imidazole-2,5-quinone
Wiley ID 1423245