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5-(AMINOMETHYL)HEXAHYDRO-1,3,5-TRINITROPYRIMIDINE, MONONITRATE

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5-(AMINOMETHYL)HEXAHYDRO-1,3,5-TRINITROPYRIMIDINE, MONONITRATE
SpectraBase Compound ID 46mdL1tO0G8
InChI InChI=1S/C5H10N6O6.NO3/c6-1-5(9(12)13)2-7(10(14)15)4-8(3-5)11(16)17;2-1(3)4/h1-4,6H2;/q;-1/p+1
InChIKey JRQVOHUGXBWJJA-UHFFFAOYSA-O
Mol Weight 313.18 g/mol
Molecular Formula C5H11N7O9
Exact Mass 313.061825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lf1L4MRiCCm
Name 5-(AMINOMETHYL)HEXAHYDRO-1,3,5-TRINITROPYRIMIDINE, 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 C5H10N6O6 HNO3
InChI InChI=1S/C5H10N6O6.NO3/c6-1-5(9(12)13)2-7(10(14)15)4-8(3-5)11(16)17;2-1(3)4/h1-4,6H2;/q;-1/p+1
InChIKey JRQVOHUGXBWJJA-UHFFFAOYSA-O
Molecular Weight 313.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms PYRIMIDINE, 5-/AMINOMETHYL/HEXAHYDRO-1,3,5-TRINITRO-, MONONITRATE