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N-[1-(5,7-DINITRO-1,3-BENZOXAZOL-2-YL)-CYCLOHEXYL]-N'-PHENYLUREA
SpectraBase Compound ID IeLFCDOqS39
InChI InChI=1S/C20H19N5O6/c26-19(21-13-7-3-1-4-8-13)23-20(9-5-2-6-10-20)18-22-15-11-14(24(27)28)12-16(25(29)30)17(15)31-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,21,23,26)
InChIKey XVUOOFODTOEBAK-UHFFFAOYSA-N
Mol Weight 425.4 g/mol
Molecular Formula C20H19N5O6
Exact Mass 425.133533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxSwCwgNpY2
Name N-[1-(5,7-DINITRO-1,3-BENZOXAZOL-2-YL)-CYCLOHEXYL]-N'-PHENYLUREA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19N5O6
InChI InChI=1S/C20H19N5O6/c26-19(21-13-7-3-1-4-8-13)23-20(9-5-2-6-10-20)18-22-15-11-14(24(27)28)12-16(25(29)30)17(15)31-18/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,21,23,26)
InChIKey XVUOOFODTOEBAK-UHFFFAOYSA-N
Literature Reference Author J.M.VILLALGORDO,B.R.VINCENT,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,73,959(1990)
Literature Reference DOI 10.1002/hlca.19900730423
Molecular Weight 425.401 g/mol
Solvent DMSO-D6
Source File Reference UWED14028