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5-(4-CHLOROPHENYL)-CARBONYL-2-(4-METHOXYPHENYL)-METHYLIDENE-3-OXO-2,3-DIHYDROPYRROLO-[2.1-B]-THIAZOLE-7-CARBONITRILE
SpectraBase Compound ID D8D5dgP8pFq
InChI InChI=1S/C22H13ClN2O3S/c1-28-17-8-2-13(3-9-17)10-19-21(27)25-18(11-15(12-24)22(25)29-19)20(26)14-4-6-16(23)7-5-14/h2-11H,1H3/b19-10-
InChIKey CKXDRIYIXJULSE-GRSHGNNSSA-N
Mol Weight 420.87 g/mol
Molecular Formula C22H13ClN2O3S
Exact Mass 420.033541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArSX05EdYh7
Name 5-(4-CHLOROPHENYL)-CARBONYL-2-(4-METHOXYPHENYL)-METHYLIDENE-3-OXO-2,3-DIHYDROPYRROLO-[2.1-B]-THIAZOLE-7-CARBONITRILE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H13ClN2O3S
InChI InChI=1S/C22H13ClN2O3S/c1-28-17-8-2-13(3-9-17)10-19-21(27)25-18(11-15(12-24)22(25)29-19)20(26)14-4-6-16(23)7-5-14/h2-11H,1H3/b19-10-
InChIKey CKXDRIYIXJULSE-GRSHGNNSSA-N
Literature Reference Author A.V.TVERDOKHLEBOV,A.P.ANDRUSHKO,A.A.TOLMACHEV,A.N.KOSTYUK,A. N.CHERNEGA,E.B.RUSAN
Literature Reference Citation MH.CHEM.,136,1781(2005)
Literature Reference DOI 10.1007/s00706-005-0356-1
Molecular Weight 420.870 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18844