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DIMETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID HMnoCyz0zUY
InChI InChI=1S/C21H17ClN2O4S2/c1-27-19(25)17(20(26)28-2)18(16-9-11-5-3-4-6-14(11)29-16)24-21-23-13-8-7-12(22)10-15(13)30-21/h3-10,17-18H,1-2H3,(H,23,24)/t18-/m0/s1
InChIKey XKHJZZYSQHVYIP-SFHVURJKSA-N
Mol Weight 460.95 g/mol
Molecular Formula C21H17ClN2O4S2
Exact Mass 460.031827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2je5Mmd6iG
Name DIMETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5E R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN2O4S2
InChI InChI=1S/C21H17ClN2O4S2/c1-27-19(25)17(20(26)28-2)18(16-9-11-5-3-4-6-14(11)29-16)24-21-23-13-8-7-12(22)10-15(13)30-21/h3-10,17-18H,1-2H3,(H,23,24)/t18-/m0/s1
InChIKey XKHJZZYSQHVYIP-SFHVURJKSA-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 460.950 g/mol
Solvent CDCl3
Source File Reference UWBT14824