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4,4,8,8,11,11-Hexanitro-pentacyclo(5.4.0.0/2,6/.0/3,10/.0/5,9/)undecane
SpectraBase Compound ID 9CM5fqFwEhh
InChI InChI=1S/C11H8N6O12/c18-12(19)9(13(20)21)5-1-2-4-3(1)10(14(22)23,15(24)25)7(5)8(6(2)9)11(4,16(26)27)17(28)29/h1-8H/t1-,2+,3-,4+,5-,6+,7+,8-
InChIKey QIHQLACVJNZJRM-QEXFJBNHSA-N
Mol Weight 416.22 g/mol
Molecular Formula C11H8N6O12
Exact Mass 416.02002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICAQiyvhCPc
Name 4,4,8,8,11,11-Hexanitro-pentacyclo(5.4.0.0/2,6/.0/3,10/.0/5,9/)undecane
Comments BRUKER-IBM NR 200AF OR NR 300AF SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H8N6O12
InChI InChI=1S/C11H8N6O12/c18-12(19)9(13(20)21)5-1-2-4-3(1)10(14(22)23,15(24)25)7(5)8(6(2)9)11(4,16(26)27)17(28)29/h1-8H/t1-,2+,3-,4+,5-,6+,7+,8-
InChIKey QIHQLACVJNZJRM-QEXFJBNHSA-N
Instrument Name see comment
Literature Reference T. Axenrod, B. Liang, P.R.Dave, Magn. Res. Chem. 29, 9 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6