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3-Cyano-1-hexyl-6-hydroxy-4-methyl-5-[2-(perfluorohexyl)phenylazo]-2-pyridone
SpectraBase Compound ID 5b11Z8aMzcc
InChI InChI=1S/C25H21F13N4O2/c1-3-4-5-8-11-42-18(43)14(12-39)13(2)17(19(42)44)41-40-16-10-7-6-9-15(16)20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h6-7,9-10,44H,3-5,8,11H2,1-2H3/b41-40+
InChIKey CEDPXSZGIXRWML-CDJCAARLSA-N
Mol Weight 656.45 g/mol
Molecular Formula C25H21F13N4O2
Exact Mass 656.145692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnnxYRPp9Lg
Name 3-Cyano-1-hexyl-6-hydroxy-4-methyl-5-[2-(perfluorohexyl)phenylazo]-2-pyridone
Comments Less than 3 mono-isotopic peaks
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Formula C25H21F13N4O2
InChI InChI=1S/C25H21F13N4O2/c1-3-4-5-8-11-42-18(43)14(12-39)13(2)17(19(42)44)41-40-16-10-7-6-9-15(16)20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h6-7,9-10,44H,3-5,8,11H2,1-2H3/b41-40+
InChIKey CEDPXSZGIXRWML-CDJCAARLSA-N
Molecular Weight 656.448 g/mol
SMILES OC=1N(CCCCCC)C(C(=C(C1\N=N\c1c(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cccc1)C)C#N)=O
SPLASH splash10-004i-0900004000-6fe6d8015338ffe672e3
Source of Spectrum AJ-66-1793-7
Synonyms 1-hexyl-6-hydroxy-4-methyl-2-oxo-5-{(E)-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]diazenyl}-1,2-dihydro-3-pyridinecarbonitrile
Wiley ID 772018