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HOMO;1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEPTANE

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HOMO;1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEPTANE
SpectraBase Compound ID 3ZeXtqjNRcB
InChI InChI=1S/C4H8N6O6/c11-8(12)5-1-2-6(9(13)14)4-7(3-5)10(15)16/h1-4H2
InChIKey PWEBVDKVPUYMMO-UHFFFAOYSA-N
Mol Weight 236.14 g/mol
Molecular Formula C4H8N6O6
Exact Mass 236.050532 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gyc8IluId6b
Name 1,3,5-TRINITRO-1,3,5-TRIAZA-CYCLOHEPTANE;HOMO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H8N6O6
InChI InChI=1S/C4H8N6O6/c11-8(12)5-1-2-6(9(13)14)4-7(3-5)10(15)16/h1-4H2
InChIKey PWEBVDKVPUYMMO-UHFFFAOYSA-N
Literature Reference Author S.ZEMAN
Literature Reference Citation J.ENERG.MAT.,17,305(1999)
Literature Reference DOI 10.1080/07370659908201793
Solvent DMSO-D6
Source File Reference UWLU75707