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3-Cyano-2-ethoxy-4-phenyl-6-[1-(.alpha.,alpha.,.alpha.-trifluoro-m-tolyl)piperazino]-1,7,10-antyridine
SpectraBase Compound ID 3csAaTLg8tl
InChI InChI=1S/C31H25F3N6O/c1-2-41-30-25(19-35)27(20-7-4-3-5-8-20)24-18-23-26(37-28(24)38-30)11-12-36-29(23)40-15-13-39(14-16-40)22-10-6-9-21(17-22)31(32,33)34/h3-12,17-18H,2,13-16H2,1H3
InChIKey BTXSYXIWWWSWLI-UHFFFAOYSA-N
Mol Weight 554.58 g/mol
Molecular Formula C31H25F3N6O
Exact Mass 554.204194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 976rBpxLD3
Name 3-Cyano-2-ethoxy-4-phenyl-6-[1-(.alpha.,alpha.,.alpha.-trifluoro-m-tolyl)piperazino]-1,7,10-antyridine
Alternate Name(s) 2-Ethoxy-4-phenyl-5-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-1,6,9-triaza-anthracene-3-carbonitrile 2-ethoxy-4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}pyrido[2,3-b][1,6]naphthyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25F3N6O
InChI InChI=1S/C31H25F3N6O/c1-2-41-30-25(19-35)27(20-7-4-3-5-8-20)24-18-23-26(37-28(24)38-30)11-12-36-29(23)40-15-13-39(14-16-40)22-10-6-9-21(17-22)31(32,33)34/h3-12,17-18H,2,13-16H2,1H3
InChIKey BTXSYXIWWWSWLI-UHFFFAOYSA-N
Molecular Weight 554.577 g/mol
SMILES c12nc(OCC)c(c(c2cc2c(n1)ccnc2N1CCN(CC1)c1cc(C(F)(F)F)ccc1)-c1ccccc1)C#N
SPLASH splash10-0udi-0009010000-ac963ef0a7e41a9e976c
Source of Spectrum H1-41-114-6
Wiley ID 757064