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5-(2,2-Dicyanoethenyl)-5'-[(E)-(4-N,N-Dimethylaminobenzylidene)methyl]-2,2'-bi(3,4-ethylenedioxythiophene)
SpectraBase Compound ID C0SazHIWTjC
InChI InChI=1S/C26H21N3O4S2/c1-29(2)18-6-3-16(4-7-18)5-8-19-21-23(32-11-9-30-21)25(34-19)26-24-22(31-10-12-33-24)20(35-26)13-17(14-27)15-28/h3-8,13H,9-12H2,1-2H3/b8-5+
InChIKey HFPUNQPLNUGKFQ-VMPITWQZSA-N
Mol Weight 503.59 g/mol
Molecular Formula C26H21N3O4S2
Exact Mass 503.097349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lwB8a9NWLp
Name 5-(2,2-Dicyanoethenyl)-5'-[(E)-(4-N,N-Dimethylaminobenzylidene)methyl]-2,2'-bi(3,4-ethylenedioxythiophene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O4S2
InChI InChI=1S/C26H21N3O4S2/c1-29(2)18-6-3-16(4-7-18)5-8-19-21-23(32-11-9-30-21)25(34-19)26-24-22(31-10-12-33-24)20(35-26)13-17(14-27)15-28/h3-8,13H,9-12H2,1-2H3/b8-5+
InChIKey HFPUNQPLNUGKFQ-VMPITWQZSA-N
Molecular Weight 503.591 g/mol
SMILES c1(-c2c3c(OCCO3)c(s2)\C=C\c2ccc(cc2)N(C)C)c2c(OCCO2)c(s1)C=C(C#N)C#N
SPLASH splash10-0udi-0301090000-e32cb23ff891c5430a6d
Source of Spectrum J-67-217-5
Synonyms 2-[(7-{7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl}-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl)methylidene]propanedinitrile
Wiley ID 1568902