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DIMETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-METHYLBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID CQ0EzbJHrcg
InChI InChI=1S/C22H20N2O4S2/c1-12-8-9-14-16(10-12)30-22(23-14)24-19(18(20(25)27-2)21(26)28-3)17-11-13-6-4-5-7-15(13)29-17/h4-11,18-19H,1-3H3,(H,23,24)/t19-/m0/s1
InChIKey SMVSGKRRICLWBK-IBGZPJMESA-N
Mol Weight 440.53 g/mol
Molecular Formula C22H20N2O4S2
Exact Mass 440.086449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ES93T2NWz0q
Name DIMETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-METHYLBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5M R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N2O4S2
InChI InChI=1S/C22H20N2O4S2/c1-12-8-9-14-16(10-12)30-22(23-14)24-19(18(20(25)27-2)21(26)28-3)17-11-13-6-4-5-7-15(13)29-17/h4-11,18-19H,1-3H3,(H,23,24)/t19-/m0/s1
InChIKey SMVSGKRRICLWBK-IBGZPJMESA-N
Literature Reference Author H.XIAO,F.WU,L.SHI,Z.CHEN,S.SU,C.TANG,H.WANG,Z.LI,M.LI,Q.SHI
Literature Reference Citation MOLECULES,19,3955(2014)
Literature Reference DOI 10.3390/molecules19043955
Molecular Weight 440.532 g/mol
Solvent CDCl3
Source File Reference UWBT14832