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1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-3,5,8,10-tetraene-2,7-diylidenebis[5-methyl -
SpectraBase Compound ID 7G94oSbTrs3
InChI InChI=1S/C27H20S4/c1-16-9-11-22-24(13-16)30-26(28-22)20-7-3-6-19-15-18(20)5-4-8-21(19)27-29-23-12-10-17(2)14-25(23)31-27/h3-14H,15H2,1-2H3/b26-20-,27-21-
InChIKey KPUSPROUPXMRLI-AQPNWFMJSA-N
Mol Weight 472.7 g/mol
Molecular Formula C27H20S4
Exact Mass 472.044785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XKXQQvRGCN
Name 1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-3,5,8,10-tetraene-2,7-diylidenebis[5-methyl -
CAS Registry Number 72952-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20S4
InChI InChI=1S/C27H20S4/c1-16-9-11-22-24(13-16)30-26(28-22)20-7-3-6-19-15-18(20)5-4-8-21(19)27-29-23-12-10-17(2)14-25(23)31-27/h3-14H,15H2,1-2H3/b26-20-,27-21-
InChIKey KPUSPROUPXMRLI-AQPNWFMJSA-N
Molecular Weight 472.697 g/mol
SMILES c12S\C(Sc1ccc(c2)C)=C/1C=2CC(\C(=C/3Sc4cc(C)ccc4S3)C=CC2)=CC=C1
SPLASH splash10-014i-1905400000-b01501cc192e01cd1bc1
Source of Spectrum H-65-1294-0
Synonyms (2Z)-5-methyl-2-[(7Z)-7-(5-methyl-1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-1(10),3,5,8-tetraen-2-ylidene]-1,3-benzodithiole 2,2'-(bicyclo[4.4.1]undeca-1(10),3,5,8-tetraen-2,7-diyliden)-di(x,x'-dimethyl-1,3-benzodithiol) Bicyclo[4.4.1]undecane, 1,3-benzodithiole deriv.
Wiley ID 1393387