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1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEXANE;RDX

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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

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhFgAGOC7p2
Name XTFIVUDBNACUBN-UHFFFAOYSA-N
CAS Registry Number 121-82-4
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author S.BULUSU,T.AXENROD,J.R.AUTERA
Literature Reference Citation ORG.MAGN.RES.,16,52(1981)
Literature Reference DOI 10.1002/mrc.1270160114
Solvent ACETONE
Source File Reference UWED15840