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4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2,6-diiodophenol)
SpectraBase Compound ID HQRS90xgnYE
InChI InChI=1S/C18H18I4O2/c1-3-11(9-5-13(19)17(23)14(20)6-9)12(4-2)10-7-15(21)18(24)16(22)8-10/h5-8,11-12,23-24H,3-4H2,1-2H3/t11-,12-/m1/s1
InChIKey HOKKKDLMPLLHOL-VXGBXAGGSA-N
Mol Weight 773.96 g/mol
Molecular Formula C18H18I4O2
Exact Mass 773.74856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSKEacjTEoj
Name 4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2,6-diiodophenol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18I4O2
InChI InChI=1S/C18H18I4O2/c1-3-11(9-5-13(19)17(23)14(20)6-9)12(4-2)10-7-15(21)18(24)16(22)8-10/h5-8,11-12,23-24H,3-4H2,1-2H3/t11-,12-/m1/s1
InChIKey HOKKKDLMPLLHOL-VXGBXAGGSA-N
Molecular Weight 773.958 g/mol
SMILES Oc1c(cc([C@]([C@@](c2cc(c(c(c2)I)O)I)(CC)[H])(CC)[H])cc1I)I
SPLASH splash10-000i-0119000000-1c84b669cfcc8b084b50
Source of Spectrum APC-314-638-1n
Wiley ID 1787961