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

*Links on SpectraBase are not permalinks.
3-Cyano-2-ethoxy-5-(2,2-dicyanovinyl)-6-{N-4-[2-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine
SpectraBase Compound ID CFxwZBoGmyP
InChI InChI=1S/C31H27F3N6O/c1-2-41-30-26(21-37)28(24-9-4-3-5-10-24)25(18-22(19-35)20-36)29(38-30)40-16-14-39(15-17-40)13-12-23-8-6-7-11-27(23)31(32,33)34/h3-11,18H,2,12-17H2,1H3
InChIKey KUJWJKAUVBMRPJ-UHFFFAOYSA-N
Mol Weight 556.59 g/mol
Molecular Formula C31H27F3N6O
Exact Mass 556.219844 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 BjLm0tfjBst
Name 3-Cyano-2-ethoxy-5-(2,2-dicyanovinyl)-6-{N-4-[2-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine
Alternate Name(s) 2-{[5-cyano-6-ethoxy-4-phenyl-2-(4-{2-[2-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl)-3-pyridinyl]methylene}malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27F3N6O
InChI InChI=1S/C31H27F3N6O/c1-2-41-30-26(21-37)28(24-9-4-3-5-10-24)25(18-22(19-35)20-36)29(38-30)40-16-14-39(15-17-40)13-12-23-8-6-7-11-27(23)31(32,33)34/h3-11,18H,2,12-17H2,1H3
InChIKey KUJWJKAUVBMRPJ-UHFFFAOYSA-N
Molecular Weight 556.593 g/mol
SMILES c1(nc(OCC)c(c(c1C=C(C#N)C#N)-c1ccccc1)C#N)N1CCN(CC1)CCc1c(C(F)(F)F)cccc1
SPLASH splash10-0002-0009010000-b3d7d04a6752f658c078
Source of Spectrum H1-36-1343-3
Wiley ID 755340