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2-[2-(4-BENZYLPIPERAZIN-1-YL)-ACETAMIDO]-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXAMIDE
SpectraBase Compound ID FwFFAlpe6UO
InChI InChI=1S/C22H28N4O2S/c23-21(28)20-17-8-4-5-9-18(17)29-22(20)24-19(27)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H2,23,28)(H,24,27)
InChIKey LIUJLDJHGIIUQV-UHFFFAOYSA-N
Mol Weight 412.55 g/mol
Molecular Formula C22H28N4O2S
Exact Mass 412.193297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OLkKjzYzvM
Name 2-[2-(4-BENZYLPIPERAZIN-1-YL)-ACETAMIDO]-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXAMIDE
Compound Number III B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N4O2S
InChI InChI=1S/C22H28N4O2S/c23-21(28)20-17-8-4-5-9-18(17)29-22(20)24-19(27)15-26-12-10-25(11-13-26)14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H2,23,28)(H,24,27)
InChIKey LIUJLDJHGIIUQV-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 412.550 g/mol
Sample ID 950
Solvent DMSO-D6