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2-[(1-BENZYL-R-2-CYANO-C-5-ETHYL-T-4-PIPERIDYL)-METHYL]-1-(TERT.-BUTOXYCARBONYL)-INDOLE
SpectraBase Compound ID FRvsIvFabRr
InChI InChI=1S/C29H35N3O2/c1-5-22-20-31(19-21-11-7-6-8-12-21)26(18-30)17-24(22)16-25-15-23-13-9-10-14-27(23)32(25)28(33)34-29(2,3)4/h6-15,22,24,26H,5,16-17,19-20H2,1-4H3/t22-,24-,26+/m1/s1
InChIKey RUHAIDFSXYGARM-NOOIUNMQSA-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 JHjnTOD0vqV
Name 2-[(1-BENZYL-R-2-CYANO-C-5-ETHYL-T-4-PIPERIDYL)-METHYL]-1-(TERT.-BUTOXYCARBONYL)-INDOLE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35N3O2
InChI InChI=1S/C29H35N3O2/c1-5-22-20-31(19-21-11-7-6-8-12-21)26(18-30)17-24(22)16-25-15-23-13-9-10-14-27(23)32(25)28(33)34-29(2,3)4/h6-15,22,24,26H,5,16-17,19-20H2,1-4H3/t22-,24-,26+/m1/s1
InChIKey RUHAIDFSXYGARM-NOOIUNMQSA-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 UWCP6946