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ETHYL-{5-(4-CHLOROPHENYL)-METHYLIDENE-3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETATE
SpectraBase Compound ID KpkHzCXmtAJ
InChI InChI=1S/C22H17Cl2NO4S/c1-2-29-21(27)12-20-25(13-18(26)15-5-9-17(24)10-6-15)22(28)19(30-20)11-14-3-7-16(23)8-4-14/h3-12H,2,13H2,1H3/b19-11-,20-12-
InChIKey DTTVVZOQEDETAS-YZLQMOBTSA-N
Mol Weight 462.35 g/mol
Molecular Formula C22H17Cl2NO4S
Exact Mass 461.025535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65QRiPQ9SAU
Name ETHYL-{5-(4-CHLOROPHENYL)-METHYLIDENE-3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17Cl2NO4S
InChI InChI=1S/C22H17Cl2NO4S/c1-2-29-21(27)12-20-25(13-18(26)15-5-9-17(24)10-6-15)22(28)19(30-20)11-14-3-7-16(23)8-4-14/h3-12H,2,13H2,1H3/b19-11-,20-12-
InChIKey DTTVVZOQEDETAS-YZLQMOBTSA-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 462.347 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18833