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{3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-5-[4-(DIMETHYLAMINO)-PHENYL]-METHYLIDENE-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETONITRILE
SpectraBase Compound ID KRO6P6DDMve
InChI InChI=1S/C22H18ClN3O2S/c1-25(2)18-9-3-15(4-10-18)13-20-22(28)26(21(29-20)11-12-24)14-19(27)16-5-7-17(23)8-6-16/h3-11,13H,14H2,1-2H3/b20-13-,21-11-
InChIKey LEZLJQHAHXIXBD-LLMUCODSSA-N
Mol Weight 423.92 g/mol
Molecular Formula C22H18ClN3O2S
Exact Mass 423.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhNT0SCrFed
Name {3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-5-[4-(DIMETHYLAMINO)-PHENYL]-METHYLIDENE-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETONITRILE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3O2S
InChI InChI=1S/C22H18ClN3O2S/c1-25(2)18-9-3-15(4-10-18)13-20-22(28)26(21(29-20)11-12-24)14-19(27)16-5-7-17(23)8-6-16/h3-11,13H,14H2,1-2H3/b20-13-,21-11-
InChIKey LEZLJQHAHXIXBD-LLMUCODSSA-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 423.917 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18835