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

*Links on SpectraBase are not permalinks.
(3S,ALPHA-R)-(E)-3-[N-BENZYL-N-(ALPHA-METHYLBENZYL)-AMINO]-HEX-4-ENOIC-ACID
SpectraBase Compound ID HXnpcm2YYWy
InChI InChI=1S/C21H25NO2/c1-3-10-20(15-21(23)24)22(16-18-11-6-4-7-12-18)17(2)19-13-8-5-9-14-19/h3-14,17,20H,15-16H2,1-2H3,(H,23,24)/b10-3+/t17-,20-/m1/s1
InChIKey NHDANXWMDZDAKF-TWNLFCHXSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 5n0whdm9CH1
Name (3S,ALPHA-R)-(E)-3-[N-BENZYL-N-(ALPHA-METHYLBENZYL)-AMINO]-HEX-4-ENOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-3-10-20(15-21(23)24)22(16-18-11-6-4-7-12-18)17(2)19-13-8-5-9-14-19/h3-14,17,20H,15-16H2,1-2H3,(H,23,24)/b10-3+/t17-,20-/m1/s1
InChIKey NHDANXWMDZDAKF-TWNLFCHXSA-N
Literature Reference Author S.G.DAVIES,G.D.SMYTH,A.M.CHIPPINDALE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3089(1999)
Literature Reference DOI 10.1039/a907017f
Molecular Weight 323.435 g/mol
Solvent CDCl3
Source File Reference UWRU7597