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3-(2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid
SpectraBase Compound ID JrkqXjwLDRX
InChI InChI=1S/C7H10N4O4/c12-3(13)1-2-11-5-4(9-7(11)15)8-6(14)10-5/h4-5H,1-2H2,(H,9,15)(H,12,13)(H2,8,10,14)
InChIKey VKJHKVYLLWVYJU-UHFFFAOYSA-N
Mol Weight 214.18 g/mol
Molecular Formula C7H10N4O4
Exact Mass 214.070205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxWltAWTjz1
Name 3-(2,5-Dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid
CAS Registry Number 309935-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10N4O4
InChI InChI=1S/C7H10N4O4/c12-3(13)1-2-11-5-4(9-7(11)15)8-6(14)10-5/h4-5H,1-2H2,(H,9,15)(H,12,13)(H2,8,10,14)
InChIKey VKJHKVYLLWVYJU-UHFFFAOYSA-N
Molecular Weight 214.181 g/mol
SMILES N1C2C(N(C1=O)CCC(=O)O)NC(=O)N2
SPLASH splash10-0006-9100000000-bfff31d64770e6a3efa7
Source of Spectrum AD-0-2532-0
Synonyms 3-(2,5-diketo-3,3a,6,6a-tetrahydro-1H-imidaz[4,5-d]imidazol-4-yl)propionic acid 3-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid 3-[2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]propanoic acid Propanoic acid, 3-(perhydro-2,5-dioxo-imidazo[4,5-d]imidazol-1-yl)-
Wiley ID 1429439