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1,3,4,6,7-Pentaaza-cyclo(3.3.3)azine
SpectraBase Compound ID IjDFFvhPX7k
InChI InChI=1S/C7H4N6/c1-2-8-6-11-4-12-7-10-3-9-5(1)13(6)7/h1-4H
InChIKey FVHMYFABPKUJKH-UHFFFAOYSA-N
Mol Weight 172.15 g/mol
Molecular Formula C7H4N6
Exact Mass 172.049744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSRWpxk6xwZ
Name 1,3,4,6,7-Pentaaza-cyclo(3.3.3)azine
CAS Registry Number 54499-06-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4N6
InChI InChI=1S/C7H4N6/c1-2-8-6-11-4-12-7-10-3-9-5(1)13(6)7/h1-4H
InChIKey FVHMYFABPKUJKH-UHFFFAOYSA-N
Instrument Name Nicolet NT-360
Literature Reference M.A. Rossman, N.J. Leonhard, S.Urano, J. Am. Chem. Soc. 107, 3884 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6