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4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-octyl-N-(2-hydroxyethyl)aniline
SpectraBase Compound ID 122nljpBPWY
InChI InChI=1S/C28H30F13N3O3S/c1-2-3-4-5-6-7-16-44(17-18-45)21-12-8-19(9-13-21)42-43-20-10-14-22(15-11-20)48(46,47)28(40,41)26(35,36)24(31,32)23(29,30)25(33,34)27(37,38)39/h8-15,45H,2-7,16-18H2,1H3/b43-42+
InChIKey IBBDERODCYIYEL-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 LjNIOegTI
Name 4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-octyl-N-(2-hydroxyethyl)aniline
Alternate Name(s) 2-[octyl-4-((E)-{4-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]phenyl}diazenyl)anilino]ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30F13N3O3S
InChI InChI=1S/C28H30F13N3O3S/c1-2-3-4-5-6-7-16-44(17-18-45)21-12-8-19(9-13-21)42-43-20-10-14-22(15-11-20)48(46,47)28(40,41)26(35,36)24(31,32)23(29,30)25(33,34)27(37,38)39/h8-15,45H,2-7,16-18H2,1H3/b43-42+
InChIKey IBBDERODCYIYEL-HBSCQBRPSA-N
Molecular Weight 735.605 g/mol
SMILES OCCN(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)CCCCCCCC
SPLASH splash10-0zmi-9282000000-553b50ecd6d476885ff6
Source of Spectrum AJ-70-3157-4
Wiley ID 774214