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2-(3',4',5'-trimethoxyphenyl)-2-phenyl-1,3-dithiane
SpectraBase Compound ID CvGD3nYDHCO
InChI InChI=1S/C19H22O3S2/c1-20-16-12-15(13-17(21-2)18(16)22-3)19(23-10-7-11-24-19)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3
InChIKey ZXOCEUSTYGETQX-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C19H22O3S2
Exact Mass 362.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CmSVLL5Cs8
Name 2-(3',4',5'-trimethoxyphenyl)-2-phenyl-1,3-dithiane
Alternate Name(s) 2-Phenyl-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3S2
InChI InChI=1S/C19H22O3S2/c1-20-16-12-15(13-17(21-2)18(16)22-3)19(23-10-7-11-24-19)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3
InChIKey ZXOCEUSTYGETQX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol502428h
Molecular Weight 362.502 g/mol
SMILES C1(c2ccccc2)(SCCCS1)c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-000i-0292000000-6e34be400706f9b33a32
Source of Spectrum A1-16-4730/SMS11-Table2,Entry20
Wiley ID 1751298