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1,3-Benzodioxole, 5-[6-(1,3-dithian-2-ylidenemethyl)-2,3,4-trimethoxyphenyl]-
SpectraBase Compound ID CilZ0Q6bfto
InChI InChI=1S/C21H22O5S2/c1-22-17-10-14(11-18-27-7-4-8-28-18)19(21(24-3)20(17)23-2)13-5-6-15-16(9-13)26-12-25-15/h5-6,9-11H,4,7-8,12H2,1-3H3
InChIKey MCHOITHIFJJANZ-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C21H22O5S2
Exact Mass 418.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0ZqhLekMQr
Name 1,3-Benzodioxole, 5-[6-(1,3-dithian-2-ylidenemethyl)-2,3,4-trimethoxyphenyl]-
CAS Registry Number 74199-06-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5S2
InChI InChI=1S/C21H22O5S2/c1-22-17-10-14(11-18-27-7-4-8-28-18)19(21(24-3)20(17)23-2)13-5-6-15-16(9-13)26-12-25-15/h5-6,9-11H,4,7-8,12H2,1-3H3
InChIKey MCHOITHIFJJANZ-UHFFFAOYSA-N
Molecular Weight 418.522 g/mol
SMILES c1(c(c(C=C2SCCCS2)cc(c1OC)OC)-c1cc2OCOc2cc1)OC
SPLASH splash10-014i-0210900000-f6f674200ae92799d5f8
Source of Spectrum KC-1982-523-0
Synonyms 1,3-Dithiane, 1,3-benzodioxole deriv. 2-(4,5,6-Trimethoxy-3',4'-methylenedioxybiphenyl-2-yl-methylene)-1,3-dithian 5-[6-(1,3-dithian-2-ylidenemethyl)-2,3,4-trimethoxyphenyl]-1,3-benzodioxole
Wiley ID 1377089