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2-(4'-chlorophenyl)-2-(4'-bromophenyl)-1,3-dithiane
SpectraBase Compound ID H3IZwPO6aiz
InChI InChI=1S/C16H14BrClS2/c17-14-6-2-12(3-7-14)16(19-10-1-11-20-16)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2
InChIKey AEHBJLLHMTYQHD-UHFFFAOYSA-N
Mol Weight 385.77 g/mol
Molecular Formula C16H14BrClS2
Exact Mass 383.940883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ygaMYw89bQ
Name 2-(4'-chlorophenyl)-2-(4'-bromophenyl)-1,3-dithiane
Alternate Name(s) 2-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrClS2
InChI InChI=1S/C16H14BrClS2/c17-14-6-2-12(3-7-14)16(19-10-1-11-20-16)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2
InChIKey AEHBJLLHMTYQHD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502428h
Molecular Weight 385.765 g/mol
SMILES C1(c2ccc(cc2)Cl)(c2ccc(cc2)Br)SCCCS1
SPLASH splash10-03di-0319000000-88fff68f7465458e5865
Source of Spectrum A1-16-4730/SMS12-Table2,Entry21
Wiley ID 1751299