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4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-chlorophenol)
SpectraBase Compound ID 6f7EhrCN5VZ
InChI InChI=1S/C18H20Cl2O2/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 CBJDAPHLKCZCIS-ZIAGYGMSSA-N
Mol Weight 339.26 g/mol
Molecular Formula C18H20Cl2O2
Exact Mass 338.084035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83ovDyckVT0
Name 4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-chlorophenol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20Cl2O2
InChI InChI=1S/C18H20Cl2O2/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 CBJDAPHLKCZCIS-ZIAGYGMSSA-N
Literature Reference DOI 10.1002/ardp.19813140711
Molecular Weight 339.262 g/mol
SMILES Oc1c(cc([C@]([C@@](c2ccc(c(c2)Cl)O)(CC)[H])(CC)[H])cc1)Cl
SPLASH splash10-014l-0900000000-e75bb29da266fcc542e0
Source of Spectrum APC-314-637-1d
Wiley ID 1787958