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1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-3,6,8,10-tetraene-2,5-diylidenebis[5-methyl -
SpectraBase Compound ID 2s4c1fiGq9a
InChI InChI=1S/C27H20S4/c1-16-7-11-22-24(13-16)30-26(28-22)20-9-10-21(19-6-4-3-5-18(20)15-19)27-29-23-12-8-17(2)14-25(23)31-27/h3-14H,15H2,1-2H3/b26-20-,27-21+
InChIKey IAAMNQAMSGLOKR-QRNPONQASA-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 FJiI8oMILwQ
Name 1,3-Benzodithiole, 2,2'-bicyclo[4.4.1]undeca-3,6,8,10-tetraene-2,5-diylidenebis[5-methyl -
CAS Registry Number 83721-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20S4
InChI InChI=1S/C27H20S4/c1-16-7-11-22-24(13-16)30-26(28-22)20-9-10-21(19-6-4-3-5-18(20)15-19)27-29-23-12-8-17(2)14-25(23)31-27/h3-14H,15H2,1-2H3/b26-20-,27-21+
InChIKey IAAMNQAMSGLOKR-QRNPONQASA-N
Molecular Weight 472.697 g/mol
SMILES C=12\C(=C/3Sc4cc(C)ccc4S3)C=C\C(C(C2)=CC=CC1)=C\1Sc2cc(C)ccc2S1
SPLASH splash10-0g4i-2907600000-f7153ac7d953cf7c9115
Source of Spectrum H-65-1295-0
Synonyms (2Z)-5-methyl-2-[(5E)-5-(5-methyl-1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-2-ylidene]-1,3-benzodithiole 2,2'-(bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-2,5-diyliden)di(x,x'-dimethyl-1,3-benzodithiol) Bicyclo[4.4.1]undecane, 1,3-benzodithiole deriv.
Wiley ID 1393388