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5-(AMINOMETHYL)-1,3-DINITROHEXAHYDRO-5-NITRAMINOPYRIMIDINE,MONONITRATE

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5-(AMINOMETHYL)-1,3-DINITROHEXAHYDRO-5-NITRAMINOPYRIMIDINE,MONONITRATE
SpectraBase Compound ID 9u4kJdYGEph
InChI InChI=1S/C5H11N7O6.NO3/c6-1-5(7-10(13)14)2-8(11(15)16)4-9(3-5)12(17)18;2-1(3)4/h7H,1-4,6H2;/q;-1/p+1
InChIKey UHOOSHJZPXHHBV-UHFFFAOYSA-O
Mol Weight 328.2 g/mol
Molecular Formula C5H12N8O9
Exact Mass 328.072724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IMwvgthtE0
Name 5-(AMINOMETHYL)-1,3-DINITROHEXAHYDRO-5-NITRAMINOPYRIMIDINE,MONONITRATE
Source of Sample A. Edwards, G. A. Webb J. Chem. Soc. Perkin Trans. I, 1977, 1989
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H11N7O6 HNO3
InChI InChI=1S/C5H11N7O6.NO3/c6-1-5(7-10(13)14)2-8(11(15)16)4-9(3-5)12(17)18;2-1(3)4/h7H,1-4,6H2;/q;-1/p+1
InChIKey UHOOSHJZPXHHBV-UHFFFAOYSA-O
Molecular Weight 328.20
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms PYRIMIDINE, 5-/AMINOMETHYL/-1,3-DI- NITROHEXAHYDRO-5-NITRAMINO-, MONO- NITRATE