About: A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate

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About: A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	15N-Labelled ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate was synthesized by azo-coupling of diazotized aniline (using Na15NO2, 99% 15N) with ethyl 4,5-dihydro-5oxo-2-phenyl-(1H)-pyrrole-3-carboxylate. The product was formed as a tautomeric hydrazone mixture as con?rmed by 13C and 15N chemical shifts, and was obtained as a mixture of E and Z isomers according to nJ(15N, 13C). A comparison of the 1H NMR data with GIAO DFT calculations enabled determination of the con?guration of the carboxy ester group in both isomers. 15N-Labelled ethyl 5-oxo-2-phenyl-4-(2-phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate was synthesized by azo-coupling of diazotized aniline (using Na15NO2, 99% 15N) with ethyl 4,5-dihydro-5oxo-2-phenyl-(1H)-pyrrole-3-carboxylate. The product was formed as a tautomeric hydrazone mixture as con?rmed by 13C and 15N chemical shifts, and was obtained as a mixture of E and Z isomers according to nJ(15N, 13C). A comparison of the 1H NMR data with GIAO DFT calculations enabled determination of the con?guration of the carboxy ester group in both isomers. (en)
Title	A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate (en)
skos:prefLabel	A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate (en)
skos:notation	RIV/00216275:25310/10:39881833!RIV11-MSM-25310___
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM0021627501)
http://linked.open...iv/cisloPeriodika	23
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Hrdina, Radim
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	244652
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/10:39881833
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	GIAO; NMR; Isomerization; Tautomerism (en)
http://linked.open.../riv/klicoveSlovo	NMR GIAO Isomerization Tautomerism
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[1AB6ACE21693]
http://linked.open...i/riv/nazevZdroje	Tetrahedron Letters
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	51
http://linked.open...iv/tvurceVysledku	Hrdina, Radim Luňák, Stanislav Lyčka, Antonín Aysha, Tarek Holuša, Radim
http://linked.open...ain/vavai/riv/wos	000278451000031
http://linked.open...n/vavai/riv/zamer	Aimed preparation of special compounds and materials and investigation of their physical and chemical properties and supramolecular structures
issn	0040-4039
number of pages	3 (xsd:int)
http://localhost/t...ganizacniJednotka	25310
is http://linked.open...avai/riv/vysledek of	A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate A H-1, C-13 and N-15 NMR spectroscopic and GIAO DFT study of ethyl 5-oxo-2-phenyl-4-(phenylhydrazono)-4,5-dihydro-1H-pyrrole-3-carboxylate

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