For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,4'-((2S,3R,6R)-1-butyl-3-ethyl-4-oxopiperidine-2,6-diyl)dibenzonitrile
SpectraBase Compound ID Oh53UrghZZ
InChI InChI=1S/C25H27N3O/c1-3-5-14-28-23(20-10-6-18(16-26)7-11-20)15-24(29)22(4-2)25(28)21-12-8-19(17-27)9-13-21/h6-13,22-23,25H,3-5,14-15H2,1-2H3/t22-,23+,25+/m0/s1
InChIKey PRNUFUIZESWUEE-JBRSBNLGSA-N
Mol Weight 385.51 g/mol
Molecular Formula C25H27N3O
Exact Mass 385.215413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Cg72MXhgvS
Name 4,4'-((2S,3R,6R)-1-butyl-3-ethyl-4-oxopiperidine-2,6-diyl)dibenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O
InChI InChI=1S/C25H27N3O/c1-3-5-14-28-23(20-10-6-18(16-26)7-11-20)15-24(29)22(4-2)25(28)21-12-8-19(17-27)9-13-21/h6-13,22-23,25H,3-5,14-15H2,1-2H3/t22-,23+,25+/m0/s1
InChIKey PRNUFUIZESWUEE-JBRSBNLGSA-N
Literature Reference DOI 10.1002/cjoc.201100717
Molecular Weight 385.511 g/mol
SMILES C1[C@@](N([C@@]([C@](C1=O)(CC)[H])(c1ccc(cc1)C#N)[H])CCCC)(c1ccc(cc1)C#N)[H]
SPLASH splash10-0002-1911000000-94547aff35479f6d57cb
Source of Spectrum CJC-30-1508-4n
Wiley ID 1772746