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2-(4'chlorophenyl)-2-(4''-methoxyphenyl)-1,3-dithiane
SpectraBase Compound ID 5fN4Nn2epaX
InChI InChI=1S/C17H17ClOS2/c1-19-16-9-5-14(6-10-16)17(20-11-2-12-21-17)13-3-7-15(18)8-4-13/h3-10H,2,11-12H2,1H3
InChIKey FFIXTKAAACUIFC-UHFFFAOYSA-N
Mol Weight 336.9 g/mol
Molecular Formula C17H17ClOS2
Exact Mass 336.040935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9r7FKddZ2lL
Name 2-(4'chlorophenyl)-2-(4''-methoxyphenyl)-1,3-dithiane
Alternate Name(s) 2-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClOS2
InChI InChI=1S/C17H17ClOS2/c1-19-16-9-5-14(6-10-16)17(20-11-2-12-21-17)13-3-7-15(18)8-4-13/h3-10H,2,11-12H2,1H3
InChIKey FFIXTKAAACUIFC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502428h
Molecular Weight 336.895 g/mol
SMILES C1(c2ccc(cc2)Cl)(c2ccc(cc2)OC)SCCCS1
SPLASH splash10-03ea-1592000000-68525cad4851280c2e4e
Source of Spectrum A1-16-4730/SMS6-Table2,Entry5
Wiley ID 1751303