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[3-(4-NITRO-2H-PYRAZOLYL)]-[3-(1,2,4-TRIAZINYL)]-AMINE
SpectraBase Compound ID 527TNMkiVWh
InChI InChI=1S/C6H5N7O2/c14-13(15)4-3-9-11-5(4)10-6-7-1-2-8-12-6/h1-3H,(H2,7,9,10,11,12)
InChIKey ZUPYLESWDCDSMO-UHFFFAOYSA-N
Mol Weight 207.15 g/mol
Molecular Formula C6H5N7O2
Exact Mass 207.050472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7c3yZZBNHC
Name [3-(4-NITRO-2H-PYRAZOLYL)]-[3-(1,2,4-TRIAZINYL)]-AMINE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N7O2
InChI InChI=1S/C6H5N7O2/c14-13(15)4-3-9-11-5(4)10-6-7-1-2-8-12-6/h1-3H,(H2,7,9,10,11,12)
InChIKey ZUPYLESWDCDSMO-UHFFFAOYSA-N
Literature Reference Author E.GARNIER,J.AUDOUX,E.PASQUINET,F.SUZENET,D.POULLAIN,B.LEBRET ,G.GUILLAUMET
Literature Reference Citation J.ORG.CHEM.,69,7809(2004)
Literature Reference DOI 10.1021/jo0490898
Molecular Weight 207.151 g/mol
Solvent DMSO-D6
Source File Reference UWVN22711