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10A-NITROMETHYL-1,3-DIPHENYLHEXAHYDRO-[1,3,5]-TRIAZINO-[1,2-A]-AZEPINE-2,4-DIONE
SpectraBase Compound ID 4kAKD3MAEPF
InChI InChI=1S/C21H22N4O4/c26-19-22-15-9-3-8-14-21(22,16-23(28)29)25(18-12-6-2-7-13-18)20(27)24(19)17-10-4-1-5-11-17/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKey NWQUFUYOAUGLKC-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hvvNcj8XXy
Name 10A-NITROMETHYL-1,3-DIPHENYLHEXAHYDRO-[1,3,5]-TRIAZINO-[1,2-A]-AZEPINE-2,4-DIONE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O4
InChI InChI=1S/C21H22N4O4/c26-19-22-15-9-3-8-14-21(22,16-23(28)29)25(18-12-6-2-7-13-18)20(27)24(19)17-10-4-1-5-11-17/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKey NWQUFUYOAUGLKC-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 394.430 g/mol
Solvent DMSO-D6
Source File Reference UWSI23807