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2-CYANO-1-METHYL-3-(2-[(1-METHYL-2-INDOLYL)-CARBONYL]-METHYL)-4-(PHENYLSULFONYL)-PIPERIDINE

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2-CYANO-1-METHYL-3-(2-[(1-METHYL-2-INDOLYL)-CARBONYL]-METHYL)-4-(PHENYLSULFONYL)-PIPERIDINE
SpectraBase Compound ID BpOEMyxsJCl
InChI InChI=1S/C25H27N3O3S/c1-27-15-14-25(32(30,31)19-9-4-3-5-10-19)20(23(27)17-26)12-13-24(29)22-16-18-8-6-7-11-21(18)28(22)2/h3-11,16,20,23,25H,12-15H2,1-2H3/t20-,23-,25+/m1/s1
InChIKey HQGZGZKAVVVVLT-XRODADMRSA-N
Mol Weight 449.57 g/mol
Molecular Formula C25H27N3O3S
Exact Mass 449.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RlRuxAXViB
Name 2-CYANO-1-METHYL-3-(2-[(1-METHYL-2-INDOLYL)-CARBONYL]-METHYL)-4-(PHENYLSULFONYL)-PIPERIDINE
CAS Registry Number 143924-13-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27N3O3S
InChI InChI=1S/C25H27N3O3S/c1-27-15-14-25(32(30,31)19-9-4-3-5-10-19)20(23(27)17-26)12-13-24(29)22-16-18-8-6-7-11-21(18)28(22)2/h3-11,16,20,23,25H,12-15H2,1-2H3/t20-,23-,25+/m1/s1
InChIKey HQGZGZKAVVVVLT-XRODADMRSA-N
Literature Reference Author D.S.GRIERSON,J.L.BETTIOL,I.BUCK,H.P.HUSSON,M.RABIRALTA,A.DIE Z
Literature Reference Citation J.ORG.CHEM.,57,6414(1992)
Literature Reference DOI 10.1021/jo00050a012
Molecular Weight 449.568 g/mol
Solvent CDCl3
Source File Reference UWCS1208