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2-[4-(DIMETHYLAMINO)-PHENYL]-METHYLIDENE-3-OXO-5-PHENYLCARBONYL-2,3-DIHYDROPYRROLO-[2.1-B]-THIAZOLE-7-CARBONITRILE
SpectraBase Compound ID 8vOfV8Lx5bW
InChI InChI=1S/C23H17N3O2S/c1-25(2)18-10-8-15(9-11-18)12-20-22(28)26-19(13-17(14-24)23(26)29-20)21(27)16-6-4-3-5-7-16/h3-13H,1-2H3/b20-12-
InChIKey PGHFRBQLGUBAMI-NDENLUEZSA-N
Mol Weight 399.47 g/mol
Molecular Formula C23H17N3O2S
Exact Mass 399.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 298R7XxitAl
Name 2-[4-(DIMETHYLAMINO)-PHENYL]-METHYLIDENE-3-OXO-5-PHENYLCARBONYL-2,3-DIHYDROPYRROLO-[2.1-B]-THIAZOLE-7-CARBONITRILE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17N3O2S
InChI InChI=1S/C23H17N3O2S/c1-25(2)18-10-8-15(9-11-18)12-20-22(28)26-19(13-17(14-24)23(26)29-20)21(27)16-6-4-3-5-7-16/h3-13H,1-2H3/b20-12-
InChIKey PGHFRBQLGUBAMI-NDENLUEZSA-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 399.467 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18843