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3-(4,6-Dimethyl-2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid
SpectraBase Compound ID BVA6MyOmaDn
InChI InChI=1S/C9H14N4O4/c1-11-6-7(12(2)9(11)17)13(8(16)10-6)4-3-5(14)15/h6-7H,3-4H2,1-2H3,(H,10,16)(H,14,15)
InChIKey QRKHBERBUZETSB-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C9H14N4O4
Exact Mass 242.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dy19LoSC1x6
Name 3-(4,6-Dimethyl-2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid
CAS Registry Number 298687-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N4O4
InChI InChI=1S/C9H14N4O4/c1-11-6-7(12(2)9(11)17)13(8(16)10-6)4-3-5(14)15/h6-7H,3-4H2,1-2H3,(H,10,16)(H,14,15)
InChIKey QRKHBERBUZETSB-UHFFFAOYSA-N
Molecular Weight 242.235 g/mol
SMILES N1C(N(CCC(=O)O)C2N(C(N(C)C12)=O)C)=O
SPLASH splash10-01ox-9600000000-13de836d0d5c06cf5266
Source of Spectrum AD-0-2532-0
Synonyms 3-(2,5-diketo-4,6-dimethyl-3a,6a-dihydro-1H-imidaz[4,5-d]imidazol-3-yl)propionic acid 3-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)propanoic acid 3-[4,6-dimethyl-2,5-bis(oxidanylidene)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]propanoic acid Propanoic acid, 3-(perhydro-4,6-dimethyl-2,5-dioxoimidazolo[4,5-d]imidazol-1-yl)-
Wiley ID 1429433