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2,5-Di-(n-hexyl)-1,6-(trifluoromethylsulfonyl)-1,3,5-hexatriene
SpectraBase Compound ID GYbHkwyWhHc
InChI InChI=1S/C20H30F6O4S2/c1-3-5-7-9-11-17(15-31(27,28)19(21,22)23)13-14-18(12-10-8-6-4-2)16-32(29,30)20(24,25)26/h13-16H,3-12H2,1-2H3/b14-13+,17-15-,18-16+
InChIKey AFFNMBKZOGXSDX-RZSRGVQNSA-N
Mol Weight 512.57 g/mol
Molecular Formula C20H30F6O4S2
Exact Mass 512.148971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vIEpc4SSRv
Name 2,5-Di-(n-hexyl)-1,6-(trifluoromethylsulfonyl)-1,3,5-hexatriene
Alternate Name(s) (1Z,3E,5E)-2,5-dihexyl-1,6-bis[(trifluoromethyl)sulfonyl]-1,3,5-hexatriene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30F6O4S2
InChI InChI=1S/C20H30F6O4S2/c1-3-5-7-9-11-17(15-31(27,28)19(21,22)23)13-14-18(12-10-8-6-4-2)16-32(29,30)20(24,25)26/h13-16H,3-12H2,1-2H3/b14-13+,17-15-,18-16+
InChIKey AFFNMBKZOGXSDX-RZSRGVQNSA-N
Molecular Weight 512.566 g/mol
SMILES C(S(\C=C\(\C=C\C(=C/S(C(F)(F)F)(=O)=O)CCCCCC)CCCCCC)(=O)=O)(F)(F)F
SPLASH splash10-00b9-0920100000-7f31fddef389a8f3d5e1
Source of Spectrum C-118-4289-20
Wiley ID 759738