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1,3-Benzodithiole, 2-[3-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propylidene]-
SpectraBase Compound ID LxqySWCpk5B
InChI InChI=1S/C27H28O5S2/c1-28-20-12-10-17(14-21(20)29-2)19(11-13-26-33-24-8-6-7-9-25(24)34-26)18-15-22(30-3)27(32-5)23(16-18)31-4/h6-10,12-16,19H,11H2,1-5H3
InChIKey NGIAGELVYYOQQR-UHFFFAOYSA-N
Mol Weight 496.64 g/mol
Molecular Formula C27H28O5S2
Exact Mass 496.137816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IknFTkmPR44
Name 1,3-Benzodithiole, 2-[3-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propylidene]-
CAS Registry Number 129149-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O5S2
InChI InChI=1S/C27H28O5S2/c1-28-20-12-10-17(14-21(20)29-2)19(11-13-26-33-24-8-6-7-9-25(24)34-26)18-15-22(30-3)27(32-5)23(16-18)31-4/h6-10,12-16,19H,11H2,1-5H3
InChIKey NGIAGELVYYOQQR-UHFFFAOYSA-N
Molecular Weight 496.636 g/mol
SMILES C1(Sc2ccccc2S1)=CCC(c1cc(OC)c(c(c1)OC)OC)c1cc(OC)c(cc1)OC
SPLASH splash10-014i-0409000000-7dbc499c57730fadd0d3
Source of Spectrum J-55-5084-11
Synonyms 2-[3-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propylidene]-1,3-benzodithiole 3-(3,3',4,4',5'-Pentamethoxybenzhydryl)-2-ethylidene-1,3-benzodithiole
Wiley ID 1398230