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ETHYL-{3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-5-(4-METHOXYPHENYL)-METHYLIDENE-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETATE
SpectraBase Compound ID BAB9bhHZZxs
InChI InChI=1S/C23H20ClNO5S/c1-3-30-22(27)13-21-25(14-19(26)16-6-8-17(24)9-7-16)23(28)20(31-21)12-15-4-10-18(29-2)11-5-15/h4-13H,3,14H2,1-2H3/b20-12-,21-13-
InChIKey NEPQFHHZZAKBSE-FDYZEBBJSA-N
Mol Weight 457.93 g/mol
Molecular Formula C23H20ClNO5S
Exact Mass 457.075072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFW0r95q1yb
Name ETHYL-{3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-5-(4-METHOXYPHENYL)-METHYLIDENE-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20ClNO5S
InChI InChI=1S/C23H20ClNO5S/c1-3-30-22(27)13-21-25(14-19(26)16-6-8-17(24)9-7-16)23(28)20(31-21)12-15-4-10-18(29-2)11-5-15/h4-13H,3,14H2,1-2H3/b20-12-,21-13-
InChIKey NEPQFHHZZAKBSE-FDYZEBBJSA-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 457.929 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18831