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3-Cyano-2-ethoxy-5-formyl-6-{N-4-[2-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine
SpectraBase Compound ID 8lc5qAOqsdx
InChI InChI=1S/C28H27F3N4O2/c1-2-37-27-23(18-32)25(21-6-4-3-5-7-21)24(19-36)26(33-27)35-16-14-34(15-17-35)13-12-20-8-10-22(11-9-20)28(29,30)31/h3-11,19H,2,12-17H2,1H3
InChIKey ILRQYRGWZUEZGT-UHFFFAOYSA-N
Mol Weight 508.55 g/mol
Molecular Formula C28H27F3N4O2
Exact Mass 508.208611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 948eFQOx0Gd
Name 3-Cyano-2-ethoxy-5-formyl-6-{N-4-[2-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine
Alternate Name(s) 2-Ethoxy-5-formyl-4-phenyl-6-(4-{2-[2-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl)nicotinonitrile 3-Cyano-2-ethoxy-5-formyl-6-{N-4-[4-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27F3N4O2
InChI InChI=1S/C28H27F3N4O2/c1-2-37-27-23(18-32)25(21-6-4-3-5-7-21)24(19-36)26(33-27)35-16-14-34(15-17-35)13-12-20-8-10-22(11-9-20)28(29,30)31/h3-11,19H,2,12-17H2,1H3
InChIKey ILRQYRGWZUEZGT-UHFFFAOYSA-N
Molecular Weight 508.545 g/mol
SMILES c1(c(c(-c2ccccc2)c(c(n1)OCC)C#N)C=O)N1CCN(CC1)CCc1ccc(C(F)(F)F)cc1
SPLASH splash10-0002-0049000000-9a8ff3ddfe2c7ad7c045
Source of Spectrum H1-36-1341-2
Wiley ID 755349