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(2R,3S,4S,5R)-2,5-Bis(1-piperidyl)-1,6-diphenyl-3,4-hexanediol

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(2R,3S,4S,5R)-2,5-Bis(1-piperidyl)-1,6-diphenyl-3,4-hexanediol
SpectraBase Compound ID 38EhZ8kJsJl
InChI InChI=1S/C28H40N2O2/c31-27(25(29-17-9-3-10-18-29)21-23-13-5-1-6-14-23)28(32)26(30-19-11-4-12-20-30)22-24-15-7-2-8-16-24/h1-2,5-8,13-16,25-28,31-32H,3-4,9-12,17-22H2/t25-,26-,27+,28+/m1/s1
InChIKey NEEPHHBDDUUGET-VIJSPRBVSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H40N2O2
Exact Mass 436.308979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6fPmPawVvve
Name (2R,3S,4S,5R)-2,5-bis(1-Piperidyl)-1,6-diphenyl-3,4-hexanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.308978534 u
Formula C28H40N2O2
InChI InChI=1S/C28H40N2O2/c31-27(25(29-17-9-3-10-18-29)21-23-13-5-1-6-14-23)28(32)26(30-19-11-4-12-20-30)22-24-15-7-2-8-16-24/h1-2,5-8,13-16,25-28,31-32H,3-4,9-12,17-22H2/t25-,26-,27+,28+/m1/s1
InChIKey NEEPHHBDDUUGET-VIJSPRBVSA-N
Molecular Weight 436.640 g/mol
SMILES [C@]([C@]([C@](N1CCCCC1)(CC1=CC=CC=C1)[H])(O)[H])([C@](N1CCCCC1)(CC=1C=CC=CC1)[H])(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947786