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5-[(E)-(4-N,N-Dimethylaminobenzylidene)methyl]-2,2'-bi(3,4-ethylenedioxythiophene)
SpectraBase Compound ID COs1BBOemre
InChI InChI=1S/C22H21NO4S2/c1-23(2)15-6-3-14(4-7-15)5-8-17-19-20(27-12-11-26-19)22(29-17)21-18-16(13-28-21)24-9-10-25-18/h3-8,13H,9-12H2,1-2H3/b8-5+
InChIKey NQXJOVLXBIJIQL-VMPITWQZSA-N
Mol Weight 427.53 g/mol
Molecular Formula C22H21NO4S2
Exact Mass 427.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86X1hjBROOR
Name 5-[(E)-(4-N,N-Dimethylaminobenzylidene)methyl]-2,2'-bi(3,4-ethylenedioxythiophene)
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Formula C22H21NO4S2
InChI InChI=1S/C22H21NO4S2/c1-23(2)15-6-3-14(4-7-15)5-8-17-19-20(27-12-11-26-19)22(29-17)21-18-16(13-28-21)24-9-10-25-18/h3-8,13H,9-12H2,1-2H3/b8-5+
InChIKey NQXJOVLXBIJIQL-VMPITWQZSA-N
Molecular Weight 427.533 g/mol
SMILES c1(-c2c3c(OCCO3)cs2)c2c(OCCO2)c(s1)\C=C\c1ccc(cc1)N(C)C
SPLASH splash10-004i-0100900000-49f194d4f385371e21c1
Source of Spectrum J-67-216-11
Synonyms N,N-dimethyl-4-[(E)-2-(7-{2H,3H-thieno[3,4-b][1,4]dioxin-5-yl}-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl)ethenyl]aniline
Wiley ID 1568904