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3-Cyano-1-hexyl-6-hydroxy-5-[2-(trifluoromethyl)phenylazo]-4-trifluoromethyl-2-pyridone
SpectraBase Compound ID 3MKRKSb7yro
InChI InChI=1S/C20H18F6N4O2/c1-2-3-4-7-10-30-17(31)12(11-27)15(20(24,25)26)16(18(30)32)29-28-14-9-6-5-8-13(14)19(21,22)23/h5-6,8-9,32H,2-4,7,10H2,1H3/b29-28+
InChIKey XTNGSJXVQRALTL-ZQHSETAFSA-N
Mol Weight 460.38 g/mol
Molecular Formula C20H18F6N4O2
Exact Mass 460.133395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 423G3v7BKeD
Name 3-Cyano-1-hexyl-6-hydroxy-5-[2-(trifluoromethyl)phenylazo]-4-trifluoromethyl-2-pyridone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F6N4O2
InChI InChI=1S/C20H18F6N4O2/c1-2-3-4-7-10-30-17(31)12(11-27)15(20(24,25)26)16(18(30)32)29-28-14-9-6-5-8-13(14)19(21,22)23/h5-6,8-9,32H,2-4,7,10H2,1H3/b29-28+
InChIKey XTNGSJXVQRALTL-ZQHSETAFSA-N
Molecular Weight 460.380 g/mol
SMILES OC1=C(C(=C(C#N)C(N1CCCCCC)=O)C(F)(F)F)\N=N\c1c(C(F)(F)F)cccc1
SPLASH splash10-03di-0930800000-5c210637b600fbe09d53
Source of Spectrum AJ-66-1794-10
Synonyms 1-Hexyl-6-hydroxy-2-oxo-4-(trifluoromethyl)-5-{(E)-[2-(trifluoromethyl)phenyl]diazenyl}-1,2-dihydro-3-pyridinecarbonitrile
Wiley ID 772014