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4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-bromophenol)
SpectraBase Compound ID LWKdTGm3m7a
InChI InChI=1S/C18H20Br2O2/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 NXTVRZYDIKGZQK-ZIAGYGMSSA-N
Mol Weight 428.16 g/mol
Molecular Formula C18H20Br2O2
Exact Mass 425.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43F1ZXayiO
Name 4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-bromophenol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20Br2O2
InChI InChI=1S/C18H20Br2O2/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 NXTVRZYDIKGZQK-ZIAGYGMSSA-N
Literature Reference DOI 10.1002/ardp.19813140711
Molecular Weight 428.164 g/mol
SMILES Oc1c(cc([C@]([C@@](c2ccc(c(c2)Br)O)(CC)[H])(CC)[H])cc1)Br
SPLASH splash10-01q9-0960100000-0ed5602dd672aa978a3c
Source of Spectrum APC-314-637-1c
Wiley ID 1787957