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DIMETHYL-2-[BENZOFURAN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID JaPrpJrvhT8
InChI InChI=1S/C21H17ClN2O5S/c1-27-19(25)17(20(26)28-2)18(15-9-11-5-3-4-6-14(11)29-15)24-21-23-13-8-7-12(22)10-16(13)30-21/h3-10,17-18H,1-2H3,(H,23,24)/t18-/m1/s1
InChIKey JWEINYYVPCWASI-GOSISDBHSA-N
Mol Weight 444.89 g/mol
Molecular Formula C21H17ClN2O5S
Exact Mass 444.054671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfXyQxcS8qf
Name DIMETHYL-2-[BENZOFURAN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN2O5S
InChI InChI=1S/C21H17ClN2O5S/c1-27-19(25)17(20(26)28-2)18(15-9-11-5-3-4-6-14(11)29-15)24-21-23-13-8-7-12(22)10-16(13)30-21/h3-10,17-18H,1-2H3,(H,23,24)/t18-/m1/s1
InChIKey JWEINYYVPCWASI-GOSISDBHSA-N
Literature Reference Author H.XIAO,P.ZHENG,C.TANG,Y.XIE,F.WU,J.SONG,J.ZHAO,Z.LI,M.LI
Literature Reference Citation MOLECULES,18,13623(2013)
Literature Reference DOI 10.3390/molecules181113623
Molecular Weight 444.889 g/mol
Solvent CDCl3
Source File Reference UWIR9861