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2-IMINOOCTAHYDROIMIDAZO-[4,5-D]-IMIDAZOLE-TRIHYDROCHLORIDE-MONOHYDRATE
SpectraBase Compound ID 3NCtE6Z5JIe
InChI InChI=1S/C4H9N5O.3ClH/c5-4-7-2-3(8-4)9(10)1-6-2;;;/h2-3,6,10H,1H2,(H3,5,7,8);3*1H
InChIKey XXECWILTUFLTRP-UHFFFAOYSA-N
Mol Weight 252.53 g/mol
Molecular Formula C4H12Cl3N5O
Exact Mass 251.010743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CyhtFTJcAp
Name 2-IMINOOCTAHYDROIMIDAZO-[4,5-D]-IMIDAZOLE-TRIHYDROCHLORIDE-MONOHYDRATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H11Cl3N5O
InChI InChI=1S/C4H9N5O.3ClH/c5-4-7-2-3(8-4)9(10)1-6-2;;;/h2-3,6,10H,1H2,(H3,5,7,8);3*1H
InChIKey XXECWILTUFLTRP-UHFFFAOYSA-N
Literature Reference Author I.J.DAGLEY,J.L.FLIPPEN-ANDERSON
Literature Reference Citation AUSTR.J.CHEM.,47,2033(1994)
Literature Reference DOI 10.1071/ch9942033
Molecular Weight 251.523 g/mol
Solvent DMSO-D6
Source File Reference UWVP6561