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ETHYL-2-[2-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]-ACETAMIDO]-4,5,6,7-TETRAHYDRO-4H-CYCLOHEPTA-[B]-THIOPHENE-3-CARBOXYLATE
SpectraBase Compound ID IHXoFOnyJGU
InChI InChI=1S/C25H33N3O4S/c1-3-32-25(30)23-20-7-5-4-6-8-21(20)33-24(23)26-22(29)17-27-13-15-28(16-14-27)18-9-11-19(31-2)12-10-18/h9-12H,3-8,13-17H2,1-2H3,(H,26,29)
InChIKey XIHCACIDYHYDMP-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C25H33N3O4S
Exact Mass 471.219178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzIgi3BBDgG
Name ETHYL-2-[2-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]-ACETAMIDO]-4,5,6,7-TETRAHYDRO-4H-CYCLOHEPTA-[B]-THIOPHENE-3-CARBOXYLATE
Compound Number VII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33N3O4S
InChI InChI=1S/C25H33N3O4S/c1-3-32-25(30)23-20-7-5-4-6-8-21(20)33-24(23)26-22(29)17-27-13-15-28(16-14-27)18-9-11-19(31-2)12-10-18/h9-12H,3-8,13-17H2,1-2H3,(H,26,29)
InChIKey XIHCACIDYHYDMP-UHFFFAOYSA-N
Literature Reference Author M.M.ISMAIL,M.M.KAMEL,L.W.MOHAMED,S.I.FAGGAL,M.A.GALAL
Literature Reference Citation MOLECULES,17,7217(2012)
Literature Reference DOI 10.3390/molecules17067217
Molecular Weight 471.615 g/mol
Sample ID 952
Solvent DMSO-D6