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2-[(1-BENZYL-R-2-CYANO-T-3-ETHYL-T-4-PIPERIDYL)-METHYL]-1-(TERT.-BUTOXYCARBONYL)-INDOLE
SpectraBase Compound ID K32cnRLWx3v
InChI InChI=1S/C29H35N3O2/c1-5-25-22(15-16-31(27(25)19-30)20-21-11-7-6-8-12-21)17-24-18-23-13-9-10-14-26(23)32(24)28(33)34-29(2,3)4/h6-14,18,22,25,27H,5,15-17,20H2,1-4H3/t22-,25+,27-/m0/s1
InChIKey SUFFECHFCNXBIC-RWUBSVTLSA-N
Mol Weight 457.6 g/mol
Molecular Formula C29H35N3O2
Exact Mass 457.272927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DRb4yntnpB
Name 2-[(1-BENZYL-R-2-CYANO-T-3-ETHYL-T-4-PIPERIDYL)-METHYL]-1-(TERT.-BUTOXYCARBONYL)-INDOLE
Compound Number 24B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35N3O2
InChI InChI=1S/C29H35N3O2/c1-5-25-22(15-16-31(27(25)19-30)20-21-11-7-6-8-12-21)17-24-18-23-13-9-10-14-26(23)32(24)28(33)34-29(2,3)4/h6-14,18,22,25,27H,5,15-17,20H2,1-4H3/t22-,25+,27-/m0/s1
InChIKey SUFFECHFCNXBIC-RWUBSVTLSA-N
Literature Reference Author J.GRACIA,N.CASAMITJANA,J.BONJOCH,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,59,3939(1994)
Literature Reference DOI 10.1021/jo00093a028
Molecular Weight 457.616 g/mol
Solvent CDCl3
Source File Reference UWCP6948