For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-Dinitro-5-(nitro-amino)-5-(ammonium-methyl)-1,3-diaza-cyclohexane cation
SpectraBase Compound ID 8jKvgHAwHGf
InChI InChI=1S/C5H11N7O6/c6-1-5(7-10(13)14)2-8(11(15)16)4-9(3-5)12(17)18/h7H,1-4,6H2/p+1
InChIKey BRERRBUFDQSTLF-UHFFFAOYSA-O
Mol Weight 266.19 g/mol
Molecular Formula C5H12N7O6
Exact Mass 266.084906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JaPv4Dv012W
Name 1,3-Dinitro-5-(nitro-amino)-5-(ammonium-methyl)-1,3-diaza-cyclohexane cation
Comments NITRATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H12N7O6
InChI InChI=1S/C5H11N7O6/c6-1-5(7-10(13)14)2-8(11(15)16)4-9(3-5)12(17)18/h7H,1-4,6H2/p+1
InChIKey BRERRBUFDQSTLF-UHFFFAOYSA-O
Instrument Name Bruker WH-90
Literature Reference A. Edwards, G.A. Webb, J. Chem. Soc. Perkin I 1989 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6