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2-CYANO-3-(CYANOMETHYL)-1-METHYL-4-([(1-METHYL-2-INDOLYL)-CARBONYL]-METHYL)-PIPERIDINE,ISOMER-B
SpectraBase Compound ID 63jWu9F3wSE
InChI InChI=1S/C20H22N4O/c1-23-10-8-14(16(7-9-21)19(23)13-22)12-20(25)18-11-15-5-3-4-6-17(15)24(18)2/h3-6,11,14,16,19H,7-8,10,12H2,1-2H3/t14-,16?,19-/m1/s1
InChIKey HVEGQCRINALFAD-WDOBJEIGSA-N
Mol Weight 334.42 g/mol
Molecular Formula C20H22N4O
Exact Mass 334.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQbIYIU5nYW
Name 2-CYANO-3-(CYANOMETHYL)-1-METHYL-4-([(1-METHYL-2-INDOLYL)-CARBONYL]-METHYL)-PIPERIDINE,ISOMER-B
CAS Registry Number 143924-22-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N4O
InChI InChI=1S/C20H22N4O/c1-23-10-8-14(16(7-9-21)19(23)13-22)12-20(25)18-11-15-5-3-4-6-17(15)24(18)2/h3-6,11,14,16,19H,7-8,10,12H2,1-2H3/t14-,16?,19-/m1/s1
InChIKey HVEGQCRINALFAD-WDOBJEIGSA-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 334.421 g/mol
Solvent CDCl3
Source File Reference UWCS1211