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1,3-BIS-(4-CHLOROPHENYL)-10A-NITROMETHYLHEXAHYDRO-[1,3,5]-TRIAZINO-[1,2-A]-AZEPINE-2,4-DIONE
SpectraBase Compound ID 2tmLhYAkfyX
InChI InChI=1S/C21H20Cl2N4O4/c22-15-4-8-17(9-5-15)26-19(28)24-13-3-1-2-12-21(24,14-25(30)31)27(20(26)29)18-10-6-16(23)7-11-18/h4-11H,1-3,12-14H2
InChIKey IHPGVNNEYNKDSQ-UHFFFAOYSA-N
Mol Weight 463.32 g/mol
Molecular Formula C21H20Cl2N4O4
Exact Mass 462.086161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9Du3bTwzdQ
Name 1,3-BIS-(4-CHLOROPHENYL)-10A-NITROMETHYLHEXAHYDRO-[1,3,5]-TRIAZINO-[1,2-A]-AZEPINE-2,4-DIONE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20Cl2N4O4
InChI InChI=1S/C21H20Cl2N4O4/c22-15-4-8-17(9-5-15)26-19(28)24-13-3-1-2-12-21(24,14-25(30)31)27(20(26)29)18-10-6-16(23)7-11-18/h4-11H,1-3,12-14H2
InChIKey IHPGVNNEYNKDSQ-UHFFFAOYSA-N
Literature Reference Author K.G.NAZARENKO,K.V.SHVIDENKO,A.M.PINCHUK,A.A.TOLMACHEV
Literature Reference Citation MH.CHEM.,136,211(2005)
Literature Reference DOI 10.1007/s00706-004-0201-y
Molecular Weight 463.320 g/mol
Solvent DMSO-D6
Source File Reference UWSI23808