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4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-ethyl-N-(2-hydroxyethyl)aniline
SpectraBase Compound ID 7zbdc687eIG
InChI InChI=1S/C22H18F13N3O3S/c1-2-38(11-12-39)15-7-3-13(4-8-15)36-37-14-5-9-16(10-6-14)42(40,41)22(34,35)20(29,30)18(25,26)17(23,24)19(27,28)21(31,32)33/h3-10,39H,2,11-12H2,1H3/b37-36+
InChIKey KQIVMFOVVIBVAB-BSRQYYOTSA-N
Mol Weight 651.44 g/mol
Molecular Formula C22H18F13N3O3S
Exact Mass 651.086129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Xxr70XTFD
Name 4-[4-(Perfluorohexylsulfonyl)phenylazo]-N-ethyl-N-(2-hydroxyethyl)aniline
Alternate Name(s) 2-[ethyl-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 C22H18F13N3O3S
InChI InChI=1S/C22H18F13N3O3S/c1-2-38(11-12-39)15-7-3-13(4-8-15)36-37-14-5-9-16(10-6-14)42(40,41)22(34,35)20(29,30)18(25,26)17(23,24)19(27,28)21(31,32)33/h3-10,39H,2,11-12H2,1H3/b37-36+
InChIKey KQIVMFOVVIBVAB-BSRQYYOTSA-N
Molecular Weight 651.443 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)CC
SPLASH splash10-000i-0090003000-d98bbbf0870fc990f393
Source of Spectrum AJ-70-3156-2
Wiley ID 774217