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

*Links on SpectraBase are not permalinks.
EZLOPITANT;(2-S,3-S-CIS)-2-(DIPHENYLMETHYL)-N-{(2-METHOXY-5-ISOPROPYLPHENYL)-METHYL}-1-AZABICYCLO-[2.2.2]-OCTAN-3-AMINE
SpectraBase Compound ID LVklwq1q6mS
InChI InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1
InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H38N2O
Exact Mass 454.298414 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 6ZvMy07BeZ0
Name EZLOPITANT;(2-S,3-S-CIS)-2-(DIPHENYLMETHYL)-N-{(2-METHOXY-5-ISOPROPYLPHENYL)-METHYL}-1-AZABICYCLO-[2.2.2]-OCTAN-3-AMINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38N2O
InChI InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1
InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N
Literature Reference Author A.M.KAMEL,K.S.ZANDI,W.M.MASSEFSKI
Literature Reference Citation J.PHARM.BIOM.ANAL.,31,1211(2003)
Literature Reference DOI 10.1016/s0731-7085(03)00025-6
Molecular Weight 454.656 g/mol
Solvent CDCl3
Source File Reference UWMZ45152