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4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-octyl-N-(8-hydroxyoctyl)aniline
SpectraBase Compound ID I6CRdM3wKpl
InChI InChI=1S/C34H42F13N3O3S/c1-2-3-4-5-8-11-22-50(23-12-9-6-7-10-13-24-51)27-18-14-25(15-19-27)48-49-26-16-20-28(21-17-26)54(52,53)34(46,47)32(41,42)30(37,38)29(35,36)31(39,40)33(43,44)45/h14-21,51H,2-13,22-24H2,1H3/b49-48+
InChIKey LVNYKAXVVMJFFD-DSIMXMMZSA-N
Mol Weight 819.8 g/mol
Molecular Formula C34H42F13N3O3S
Exact Mass 819.27393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XwtjpgypY1
Name 4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-octyl-N-(8-hydroxyoctyl)aniline
Alternate Name(s) 8-[octyl({4-[(E)-2-{4-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane)sulfonyl]phenyl}diazen-1-yl]phenyl})amino]octan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42F13N3O3S
InChI InChI=1S/C34H42F13N3O3S/c1-2-3-4-5-8-11-22-50(23-12-9-6-7-10-13-24-51)27-18-14-25(15-19-27)48-49-26-16-20-28(21-17-26)54(52,53)34(46,47)32(41,42)30(37,38)29(35,36)31(39,40)33(43,44)45/h14-21,51H,2-13,22-24H2,1H3/b49-48+
InChIKey LVNYKAXVVMJFFD-DSIMXMMZSA-N
Molecular Weight 819.767 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)CCCCCCCC
SPLASH splash10-067i-9630000000-7cdaba7037c105777b03
Source of Spectrum AJ-70-3157-5
Wiley ID 774213