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DIMETHYL-2-[(BENZO-[D]-THIAZOL-2-YL-AMINO)-(BENZOFURAN-2-YL)-METHYL]-MALONATE
SpectraBase Compound ID 9iimmluOBqa
InChI InChI=1S/C21H18N2O5S/c1-26-19(24)17(20(25)27-2)18(15-11-12-7-3-5-9-14(12)28-15)23-21-22-13-8-4-6-10-16(13)29-21/h3-11,17-18H,1-2H3,(H,22,23)/t18-/m1/s1
InChIKey ZCWLUGIWYZQCDP-GOSISDBHSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgfK5filtTt
Name DIMETHYL-2-[(BENZO-[D]-THIAZOL-2-YL-AMINO)-(BENZOFURAN-2-YL)-METHYL]-MALONATE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O5S
InChI InChI=1S/C21H18N2O5S/c1-26-19(24)17(20(25)27-2)18(15-11-12-7-3-5-9-14(12)28-15)23-21-22-13-8-4-6-10-16(13)29-21/h3-11,17-18H,1-2H3,(H,22,23)/t18-/m1/s1
InChIKey ZCWLUGIWYZQCDP-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 410.444 g/mol
Solvent CDCl3
Source File Reference UWIR9857