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

*Links on SpectraBase are not permalinks.
4-[4,4-BIS-(4-FLUOROPHENYL)-BUTYL]-PIPERAZINE-1-CARBOXYLIC-ACID-2-(4-CYANOPHENYL)-ETHYLESTER
SpectraBase Compound ID 27QUndEwEio
InChI InChI=1S/C30H31F2N3O2/c31-27-11-7-25(8-12-27)29(26-9-13-28(32)14-10-26)2-1-16-34-17-19-35(20-18-34)30(36)37-21-15-23-3-5-24(22-33)6-4-23/h3-14,29H,1-2,15-21H2
InChIKey JJKPSOUEWPDPFS-UHFFFAOYSA-N
Mol Weight 503.59 g/mol
Molecular Formula C30H31F2N3O2
Exact Mass 503.238434 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 AB9myOldfQG
Name 4-[4,4-BIS-(4-FLUOROPHENYL)-BUTYL]-PIPERAZINE-1-CARBOXYLIC-ACID-2-(4-CYANOPHENYL)-ETHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H31F2N3O2
InChI InChI=1S/C30H31F2N3O2/c31-27-11-7-25(8-12-27)29(26-9-13-28(32)14-10-26)2-1-16-34-17-19-35(20-18-34)30(36)37-21-15-23-3-5-24(22-33)6-4-23/h3-14,29H,1-2,15-21H2
InChIKey JJKPSOUEWPDPFS-UHFFFAOYSA-N
Literature Reference Author R.POULAIN,D.HORVATH,B.BONNET,C.ECKHOFF,B.CHAPELAIN,M.C.BODIN IER,B.DEPREZ
Literature Reference Citation J.MED.CHEM.,44,3391(2001)
Literature Reference DOI 10.1021/jm010878g
Molecular Weight 503.592 g/mol
Sample ID 45107
Solvent DMSO-D6