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ETHYL-2-[2-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]-ACETAMIDO]-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXYLATE
SpectraBase Compound ID 5d617jf8zyL
InChI InChI=1S/C24H31N3O4S/c1-3-31-24(29)22-19-6-4-5-7-20(19)32-23(22)25-21(28)16-26-12-14-27(15-13-26)17-8-10-18(30-2)11-9-17/h8-11H,3-7,12-16H2,1-2H3,(H,25,28)
InChIKey UPHUPTOYTHDJCK-UHFFFAOYSA-N
Mol Weight 457.59 g/mol
Molecular Formula C24H31N3O4S
Exact Mass 457.203528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7f4L4DGk4vk
Name ETHYL-2-[2-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]-ACETAMIDO]-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXYLATE
Compound Number IIIH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31N3O4S
InChI InChI=1S/C24H31N3O4S/c1-3-31-24(29)22-19-6-4-5-7-20(19)32-23(22)25-21(28)16-26-12-14-27(15-13-26)17-8-10-18(30-2)11-9-17/h8-11H,3-7,12-16H2,1-2H3,(H,25,28)
InChIKey UPHUPTOYTHDJCK-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 457.588 g/mol
Sample ID 951
Solvent DMSO-D6