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DIETHYL-2-[BENZOFURAN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID 59VllDdiOtp
InChI InChI=1S/C23H21ClN2O5S/c1-3-29-21(27)19(22(28)30-4-2)20(17-11-13-7-5-6-8-16(13)31-17)26-23-25-15-10-9-14(24)12-18(15)32-23/h5-12,19-20H,3-4H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKey TYGBTUJXFALMEK-HXUWFJFHSA-N
Mol Weight 472.94 g/mol
Molecular Formula C23H21ClN2O5S
Exact Mass 472.085971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNPPGnpNWZL
Name DIETHYL-2-[BENZOFURAN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21ClN2O5S
InChI InChI=1S/C23H21ClN2O5S/c1-3-29-21(27)19(22(28)30-4-2)20(17-11-13-7-5-6-8-16(13)31-17)26-23-25-15-10-9-14(24)12-18(15)32-23/h5-12,19-20H,3-4H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKey TYGBTUJXFALMEK-HXUWFJFHSA-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 472.943 g/mol
Solvent CDCl3
Source File Reference UWIR9862