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3-Cyano-1-hexyl-6-hydroxy-4-methyl-5-[2-(trifluoromethyl)phenylazo]-2-pyridone
SpectraBase Compound ID cYGxi5u0lx
InChI InChI=1S/C20H21F3N4O2/c1-3-4-5-8-11-27-18(28)14(12-24)13(2)17(19(27)29)26-25-16-10-7-6-9-15(16)20(21,22)23/h6-7,9-10,29H,3-5,8,11H2,1-2H3/b26-25+
InChIKey IIVAYHBFZRXCGS-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 22KIiQ1FTc
Name 3-Cyano-1-hexyl-6-hydroxy-4-methyl-5-[2-(trifluoromethyl)phenylazo]-2-pyridone
Alternate Name(s) 1-Hexyl-6-hydroxy-4-methyl-2-oxo-5-{(E)-[2-(trifluoromethyl)phenyl]diazenyl}-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)13(2)17(19(27)29)26-25-16-10-7-6-9-15(16)20(21,22)23/h6-7,9-10,29H,3-5,8,11H2,1-2H3/b26-25+
InChIKey IIVAYHBFZRXCGS-OCEACIFDSA-N
Molecular Weight 406.409 g/mol
SMILES OC=1N(CCCCCC)C(C(=C(C1\N=N\c1c(C(F)(F)F)cccc1)C)C#N)=O
SPLASH splash10-0bvi-4902300000-a9b6ee1f2d3d4d688fa7
Source of Spectrum AJ-66-1793-7
Wiley ID 772020