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DIMETHYL-2-[BENZOFURAN-2-YL-[(6-METHYLBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID HGqCV0LsyKl
InChI InChI=1S/C22H20N2O5S/c1-12-8-9-14-17(10-12)30-22(23-14)24-19(18(20(25)27-2)21(26)28-3)16-11-13-6-4-5-7-15(13)29-16/h4-11,18-19H,1-3H3,(H,23,24)/t19-/m1/s1
InChIKey FEROCQFCNNYKKH-LJQANCHMSA-N
Mol Weight 424.47 g/mol
Molecular Formula C22H20N2O5S
Exact Mass 424.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hkg9T2Vwqs
Name DIMETHYL-2-[BENZOFURAN-2-YL-[(6-METHYLBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N2O5S
InChI InChI=1S/C22H20N2O5S/c1-12-8-9-14-17(10-12)30-22(23-14)24-19(18(20(25)27-2)21(26)28-3)16-11-13-6-4-5-7-15(13)29-16/h4-11,18-19H,1-3H3,(H,23,24)/t19-/m1/s1
InChIKey FEROCQFCNNYKKH-LJQANCHMSA-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 424.471 g/mol
Solvent CDCl3
Source File Reference UWIR9869