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1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEXANE;RDX
SpectraBase Compound ID JxCYAz5wqMK
InChI InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
InChIKey XTFIVUDBNACUBN-UHFFFAOYSA-N
Mol Weight 222.12 g/mol
Molecular Formula C3H6N6O6
Exact Mass 222.034882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PkG55RTGMS
Name 1,3,5-Trinitro-1,3,5-triazacyclohexane
CAS Registry Number 121-82-4
Comments N-15 ENRICHED AT EACH N
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H6N6O6
InChI InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
InChIKey XTFIVUDBNACUBN-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference S. Bulusu, T. Axenrod, J.R. Autera, Org. Magn. Resonance 16, 52 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6