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ETHYL_2-[4-(DIMETHYLAMINO)-PHENYL]-METHYLIDENE-3-OXO-5-PHENYLCARBONYL-2,3-DIHYDROPYRROLO-[2.1-B]-THIAZOLE-7-CARBOXYLATE
SpectraBase Compound ID HCuPz5YuGuy
InChI InChI=1S/C25H22N2O4S/c1-4-31-25(30)19-15-20(22(28)17-8-6-5-7-9-17)27-23(29)21(32-24(19)27)14-16-10-12-18(13-11-16)26(2)3/h5-15H,4H2,1-3H3/b21-14-
InChIKey TZKZVRDACRNQPK-STZFKDTASA-N
Mol Weight 446.52 g/mol
Molecular Formula C25H22N2O4S
Exact Mass 446.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNC6H4ktuZB
Name ETHYL_2-[4-(DIMETHYLAMINO)-PHENYL]-METHYLIDENE-3-OXO-5-PHENYLCARBONYL-2,3-DIHYDROPYRROLO-[2.1-B]-THIAZOLE-7-CARBOXYLATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22N2O4S
InChI InChI=1S/C25H22N2O4S/c1-4-31-25(30)19-15-20(22(28)17-8-6-5-7-9-17)27-23(29)21(32-24(19)27)14-16-10-12-18(13-11-16)26(2)3/h5-15H,4H2,1-3H3/b21-14-
InChIKey TZKZVRDACRNQPK-STZFKDTASA-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 446.521 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18837