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4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-ethyl-N-(8-hydroxyoctyl)aniline
SpectraBase Compound ID L0GbYWOa1Zi
InChI InChI=1S/C28H30F13N3O3S/c1-2-44(17-7-5-3-4-6-8-18-45)21-13-9-19(10-14-21)42-43-20-11-15-22(16-12-20)48(46,47)28(40,41)26(35,36)24(31,32)23(29,30)25(33,34)27(37,38)39/h9-16,45H,2-8,17-18H2,1H3/b43-42+
InChIKey GXDVLHOMIWAIOT-HBSCQBRPSA-N
Mol Weight 735.61 g/mol
Molecular Formula C28H30F13N3O3S
Exact Mass 735.180029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FC6QgHpee6f
Name 4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-ethyl-N-(8-hydroxyoctyl)aniline
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Formula C28H30F13N3O3S
InChI InChI=1S/C28H30F13N3O3S/c1-2-44(17-7-5-3-4-6-8-18-45)21-13-9-19(10-14-21)42-43-20-11-15-22(16-12-20)48(46,47)28(40,41)26(35,36)24(31,32)23(29,30)25(33,34)27(37,38)39/h9-16,45H,2-8,17-18H2,1H3/b43-42+
InChIKey GXDVLHOMIWAIOT-HBSCQBRPSA-N
Molecular Weight 735.605 g/mol
SMILES OCCCCCCCCN(c1ccc(\N=N\c2ccc(S(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)cc2)cc1)CC
SPLASH splash10-000i-3290000000-3f1ee1a731df0320ad1d
Source of Spectrum AJ-70-3156-3
Synonyms 8-[ethyl-4-((E)-{4-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]phenyl}diazenyl)anilino]-1-octanol
Wiley ID 774215