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2,2'-(1,4-PHENYLENE)-BIS-(5,7-DICHLORO-4H-3,1-BENZOXAZIN-4-ONE)
SpectraBase Compound ID IWyvAYm7H1W
InChI InChI=1S/C22H8Cl4N2O4/c23-11-5-13(25)17-15(7-11)27-19(31-21(17)29)9-1-2-10(4-3-9)20-28-16-8-12(24)6-14(26)18(16)22(30)32-20/h1-8H
InChIKey XHCIICFCLSQFFF-UHFFFAOYSA-N
Mol Weight 506.1 g/mol
Molecular Formula C22H8Cl4N2O4
Exact Mass 503.923818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KPLsLqExr7
Name 2,2'-(1,4-PHENYLENE)-BIS-(5,7-DICHLORO-4H-3,1-BENZOXAZIN-4-ONE)
Compound Number A5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H8Cl4N2O4
InChI InChI=1S/C22H8Cl4N2O4/c23-11-5-13(25)17-15(7-11)27-19(31-21(17)29)9-1-2-10(4-3-9)20-28-16-8-12(24)6-14(26)18(16)22(30)32-20/h1-8H
InChIKey XHCIICFCLSQFFF-UHFFFAOYSA-N
Literature Reference Author M.SHARIAT,M.W.SAMSUDIN,Z.ZAKARIA
Literature Reference Citation MOLECULES,17,11607(2012)
Literature Reference DOI 10.3390/molecules171011607
Molecular Weight 506.129 g/mol
Sample ID 834
Solvent DMSO-D6