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DIPROPYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID 6ZaCkCzlxBB
InChI InChI=1S/C25H25ClN2O4S2/c1-3-11-31-23(29)21(24(30)32-12-4-2)22(20-13-15-7-5-6-8-18(15)33-20)28-25-27-17-10-9-16(26)14-19(17)34-25/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3,(H,27,28)/t22-/m0/s1
InChIKey WNTJFRLSEARIBB-QFIPXVFZSA-N
Mol Weight 517.06 g/mol
Molecular Formula C25H25ClN2O4S2
Exact Mass 516.094427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LK58C4cCMQf
Name DIPROPYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5G R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25ClN2O4S2
InChI InChI=1S/C25H25ClN2O4S2/c1-3-11-31-23(29)21(24(30)32-12-4-2)22(20-13-15-7-5-6-8-18(15)33-20)28-25-27-17-10-9-16(26)14-19(17)34-25/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3,(H,27,28)/t22-/m0/s1
InChIKey WNTJFRLSEARIBB-QFIPXVFZSA-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 517.058 g/mol
Solvent CDCl3
Source File Reference UWBT14826