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{3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-5-(4-METHOXYPHENYL)-METHYLIDENE-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETONITRILE
SpectraBase Compound ID BS6gNAWCN7u
InChI InChI=1S/C21H15ClN2O3S/c1-27-17-8-2-14(3-9-17)12-19-21(26)24(20(28-19)10-11-23)13-18(25)15-4-6-16(22)7-5-15/h2-10,12H,13H2,1H3/b19-12-,20-10-
InChIKey ZHRWZPCKJZUEID-HAPIEYOKSA-N
Mol Weight 410.88 g/mol
Molecular Formula C21H15ClN2O3S
Exact Mass 410.049191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xtCPzcliPx
Name {3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]-5-(4-METHOXYPHENYL)-METHYLIDENE-4-OXOTHIAZOLIDIN-2-YLIDENE}-ACETONITRILE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15ClN2O3S
InChI InChI=1S/C21H15ClN2O3S/c1-27-17-8-2-14(3-9-17)12-19-21(26)24(20(28-19)10-11-23)13-18(25)15-4-6-16(22)7-5-15/h2-10,12H,13H2,1H3/b19-12-,20-10-
InChIKey ZHRWZPCKJZUEID-HAPIEYOKSA-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 410.875 g/mol
Solvent DMSO-D6
Source File Reference UWMZ18834