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BARIUM-1-METHYL-5-NITRIMINOTETRAZOLATE-MONOHYDRATE
SpectraBase Compound ID D0NcYuz92XU
InChI InChI=1S/2C2H3N6O2.Ba.H2O/c2*1-7-2(3-5-6-7)4-8(9)10;;/h2*1H3;;1H2/q2*-1;+2;
InChIKey XHGRHQVTMSNNDJ-UHFFFAOYSA-N
Mol Weight 441.515 g/mol
Molecular Formula C4H8BaN12O5
Exact Mass 441.979308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmYqUGWapJX
Name BARIUM-1-METHYL-5-NITRIMINOTETRAZOLATE-MONOHYDRATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H8BaN12O5
InChI InChI=1S/2C2H3N6O2.Ba.H2O/c2*1-7-2(3-5-6-7)4-8(9)10;;/h2*1H3;;1H2/q2*-1;+2;
InChIKey XHGRHQVTMSNNDJ-UHFFFAOYSA-N
Literature Reference Author R.DAMAVARAPU,T.M.KLAPOETKE,J.STIERSTORFER,K.R.TARANTIK
Literature Reference Citation PROP.EXPL.PYROT.,35,395(2010)
Literature Reference DOI 10.1002/prep.200900058
Molecular Weight 441.515 g/mol
Solvent DMSO-D6
Source File Reference UWLU78397