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4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-iodophenol)
SpectraBase Compound ID Htrb20hVlYi
InChI InChI=1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14-/m1/s1
InChIKey JHLLTEJRPPJGGQ-ZIAGYGMSSA-N
Mol Weight 522.16 g/mol
Molecular Formula C18H20I2O2
Exact Mass 521.95527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5plaaWgnYfZ
Name 4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-iodophenol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20I2O2
InChI InChI=1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14-/m1/s1
InChIKey JHLLTEJRPPJGGQ-ZIAGYGMSSA-N
Molecular Weight 522.165 g/mol
SMILES Oc1c(cc([C@]([C@@](c2ccc(c(c2)I)O)(CC)[H])(CC)[H])cc1)I
SPLASH splash10-03e9-0290000000-c3b1f7cec54571923435
Source of Spectrum APC-314-637-1b
Wiley ID 1787956