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(5Z)-1-(4-chlorophenyl)-5-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione
SpectraBase Compound ID JQlolHaik73
InChI InChI=1S/C21H12ClN3O6/c22-13-3-7-14(8-4-13)24-20(27)17(19(26)23-21(24)28)11-16-9-10-18(31-16)12-1-5-15(6-2-12)25(29)30/h1-11H,(H,23,26,28)/b17-11-
InChIKey WGAFYZVUWPXWDA-BOPFTXTBSA-N
Mol Weight 437.8 g/mol
Molecular Formula C21H12ClN3O6
Exact Mass 437.041463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aFo8ANoEzS
Name (5Z)-1-(4-Chlorophenyl)-5-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.041462812 u
Formula C21H12ClN3O6
InChI InChI=1S/C21H12ClN3O6/c22-13-3-7-14(8-4-13)24-20(27)17(19(26)23-21(24)28)11-16-9-10-18(31-16)12-1-5-15(6-2-12)25(29)30/h1-11H,(H,23,26,28)/b17-11-
InChIKey WGAFYZVUWPXWDA-BOPFTXTBSA-N
Molecular Weight 437.795 g/mol
SMILES C1=C(Cl)C=CC(N2C(\C(=C/C=3OC(C4=CC=C(N(=O)=O)C=C4)=CC3)C(NC2=O)=O)=O)=C1