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3-Cyano-1-hexyl-6-hydroxy-5-(2-methylphenylazo)-4-trifluoromethyl-2-pyridone
SpectraBase Compound ID KM9uJB9z9sY
InChI InChI=1S/C20H21F3N4O2/c1-3-4-5-8-11-27-18(28)14(12-24)16(20(21,22)23)17(19(27)29)26-25-15-10-7-6-9-13(15)2/h6-7,9-10,29H,3-5,8,11H2,1-2H3/b26-25+
InChIKey KKUXVYIBYGTVRT-OCEACIFDSA-N
Mol Weight 406.41 g/mol
Molecular Formula C20H21F3N4O2
Exact Mass 406.16166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhA5dQqsk3n
Name 3-Cyano-1-hexyl-6-hydroxy-5-(2-methylphenylazo)-4-trifluoromethyl-2-pyridone
Alternate Name(s) 1-Hexyl-6-hydroxy-5-[(E)-(2-methylphenyl)diazenyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21F3N4O2
InChI InChI=1S/C20H21F3N4O2/c1-3-4-5-8-11-27-18(28)14(12-24)16(20(21,22)23)17(19(27)29)26-25-15-10-7-6-9-13(15)2/h6-7,9-10,29H,3-5,8,11H2,1-2H3/b26-25+
InChIKey KKUXVYIBYGTVRT-OCEACIFDSA-N
Molecular Weight 406.409 g/mol
SMILES OC1=C(C(=C(C#N)C(N1CCCCCC)=O)C(F)(F)F)\N=N\c1c(C)cccc1
SPLASH splash10-0a5l-9202300000-17e7f468cfc0fdb486ea
Source of Spectrum AJ-66-1793-10
Wiley ID 772016