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3-Cyano-1-hexyl-6-hydroxy-5-[2-(perfluorobutyl)phenylazo]-4-trifluoromethyl-2-pyridone
SpectraBase Compound ID DLIRVlmIaTj
InChI InChI=1S/C23H18F12N4O2/c1-2-3-4-7-10-39-17(40)12(11-36)15(20(26,27)28)16(18(39)41)38-37-14-9-6-5-8-13(14)19(24,25)21(29,30)22(31,32)23(33,34)35/h5-6,8-9,41H,2-4,7,10H2,1H3/b38-37+
InChIKey VVTVQMNMNBEEQE-HEFFKOSUSA-N
Mol Weight 610.4 g/mol
Molecular Formula C23H18F12N4O2
Exact Mass 610.123814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pnwLhzmZp5
Name 3-Cyano-1-hexyl-6-hydroxy-5-[2-(perfluorobutyl)phenylazo]-4-trifluoromethyl-2-pyridone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18F12N4O2
InChI InChI=1S/C23H18F12N4O2/c1-2-3-4-7-10-39-17(40)12(11-36)15(20(26,27)28)16(18(39)41)38-37-14-9-6-5-8-13(14)19(24,25)21(29,30)22(31,32)23(33,34)35/h5-6,8-9,41H,2-4,7,10H2,1H3/b38-37+
InChIKey VVTVQMNMNBEEQE-HEFFKOSUSA-N
Molecular Weight 610.404 g/mol
SMILES OC1=C(C(=C(C#N)C(N1CCCCCC)=O)C(F)(F)F)\N=N\c1c(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)cccc1
SPLASH splash10-01qi-9001001000-7229c5e427069fbc0ac2
Source of Spectrum AJ-66-1794-10
Synonyms 1-Hexyl-6-hydroxy-5-{(E)-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]diazenyl}-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
Wiley ID 772013