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3-(1H-1,2,3,4-TETRAZOL-5-YL-AMINO)-6-(3,5-DIMETHYL-PYRAZOL-1-YL)-S-TETRAZINE-MONOHYDRATE

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3-(1H-1,2,3,4-TETRAZOL-5-YL-AMINO)-6-(3,5-DIMETHYL-PYRAZOL-1-YL)-S-TETRAZINE-MONOHYDRATE
SpectraBase Compound ID 6rQJAjeRLbQ
InChI InChI=1S/C8H9N11/c1-4-3-5(2)19(16-4)8-14-10-6(11-15-8)9-7-12-17-18-13-7/h3H,1-2H3,(H2,9,10,11,12,13,17,18)
InChIKey LZBQTCSBQVRTSV-UHFFFAOYSA-N
Mol Weight 259.24 g/mol
Molecular Formula C8H9N11
Exact Mass 259.104239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmwSaNvDrIy
Name 3-(1H-1,2,3,4-TETRAZOL-5-YL-AMINO)-6-(3,5-DIMETHYL-PYRAZOL-1-YL)-S-TETRAZINE-MONOHYDRATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N11
InChI InChI=1S/C8H9N11/c1-4-3-5(2)19(16-4)8-14-10-6(11-15-8)9-7-12-17-18-13-7/h3H,1-2H3,(H2,9,10,11,12,13,17,18)
InChIKey LZBQTCSBQVRTSV-UHFFFAOYSA-N
Literature Reference Author D.E.CHAVEZ,M.A.HISKEY,D.L.NAUD
Literature Reference Citation PROP.EXPL.PYROT.,29,209(2004)
Literature Reference DOI 10.1002/prep.200400050
Molecular Weight 259.233 g/mol
Source File Reference UWLU75828