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N-[1-(5,7-DINITRO-1,3-BENZOXAZOL-2-YL)-CYCLOPENTYL]-N'-PHENYLUREA
SpectraBase Compound ID GWlYd1dp4FC
InChI InChI=1S/C19H17N5O6/c25-18(20-12-6-2-1-3-7-12)22-19(8-4-5-9-19)17-21-14-10-13(23(26)27)11-15(24(28)29)16(14)30-17/h1-3,6-7,10-11H,4-5,8-9H2,(H2,20,22,25)
InChIKey KNMSSEZAOCFJRT-UHFFFAOYSA-N
Mol Weight 411.37 g/mol
Molecular Formula C19H17N5O6
Exact Mass 411.117883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SZamrb89EW
Name N-[1-(5,7-DINITRO-1,3-BENZOXAZOL-2-YL)-CYCLOPENTYL]-N'-PHENYLUREA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17N5O6
InChI InChI=1S/C19H17N5O6/c25-18(20-12-6-2-1-3-7-12)22-19(8-4-5-9-19)17-21-14-10-13(23(26)27)11-15(24(28)29)16(14)30-17/h1-3,6-7,10-11H,4-5,8-9H2,(H2,20,22,25)
InChIKey KNMSSEZAOCFJRT-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 411.374 g/mol
Solvent DMSO-D6
Source File Reference UWED14027