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2-(3'methylphenyl)-2-(4''-methoxyphenyl)-1,3-dithiane
SpectraBase Compound ID Ijjj08U4bVu
InChI InChI=1S/C18H20OS2/c1-14-5-3-6-16(13-14)18(20-11-4-12-21-18)15-7-9-17(19-2)10-8-15/h3,5-10,13H,4,11-12H2,1-2H3
InChIKey NODCYPDRHIKQMC-UHFFFAOYSA-N
Mol Weight 316.48 g/mol
Molecular Formula C18H20OS2
Exact Mass 316.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TTT3Ot61kJ
Name 2-(3'methylphenyl)-2-(4''-methoxyphenyl)-1,3-dithiane
Alternate Name(s) 2-(4-Methoxyphenyl)-2-(m-tolyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS2
InChI InChI=1S/C18H20OS2/c1-14-5-3-6-16(13-14)18(20-11-4-12-21-18)15-7-9-17(19-2)10-8-15/h3,5-10,13H,4,11-12H2,1-2H3
InChIKey NODCYPDRHIKQMC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502428h
Molecular Weight 316.477 g/mol
SMILES C1(c2cccc(c2)C)(c2ccc(cc2)OC)SCCCS1
SPLASH splash10-05mx-0991000000-07c4c4e6856d0c4d0095
Source of Spectrum A1-16-4730/SMS5-Table2,Entry4
Wiley ID 1751302