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1-[4-[3-(BENZYLOXY)-4-METHOXYBENZYL]-PIPERAZIN-1-YL]-3-(3-METHYLINDOL-1-YL)-PROPAN-1-ONE

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1-[4-[3-(BENZYLOXY)-4-METHOXYBENZYL]-PIPERAZIN-1-YL]-3-(3-METHYLINDOL-1-YL)-PROPAN-1-ONE
SpectraBase Compound ID JGu8TQk5J3Z
InChI InChI=1S/C31H35N3O3/c1-24-21-34(28-11-7-6-10-27(24)28)15-14-31(35)33-18-16-32(17-19-33)22-26-12-13-29(36-2)30(20-26)37-23-25-8-4-3-5-9-25/h3-13,20-21H,14-19,22-23H2,1-2H3
InChIKey RXWYCJKVGBGHNC-UHFFFAOYSA-N
Mol Weight 497.6 g/mol
Molecular Formula C31H35N3O3
Exact Mass 497.267842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9mG0xgozNI
Name 1-[4-[3-(BENZYLOXY)-4-METHOXYBENZYL]-PIPERAZIN-1-YL]-3-(3-METHYLINDOL-1-YL)-PROPAN-1-ONE
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H35N3O3
InChI InChI=1S/C31H35N3O3/c1-24-21-34(28-11-7-6-10-27(24)28)15-14-31(35)33-18-16-32(17-19-33)22-26-12-13-29(36-2)30(20-26)37-23-25-8-4-3-5-9-25/h3-13,20-21H,14-19,22-23H2,1-2H3
InChIKey RXWYCJKVGBGHNC-UHFFFAOYSA-N
Literature Reference Author R.POULAIN,D.HORVATH,B.BONNET,C.ECKHOFF,B.CHAPELAIN,M.C.BODIN IER,B.DEPREZ
Literature Reference Citation J.MED.CHEM.,44,3391(2001)
Literature Reference DOI 10.1021/jm010878g
Molecular Weight 497.637 g/mol
Sample ID 45110
Solvent DMSO-D6