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Propanedinitrile, [5-(5-methyl-1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-3,6,8,10 -tetraen-2-ylidene]-, (Z)-(.+-.)-
SpectraBase Compound ID JgFol8agSQK
InChI InChI=1S/C22H14N2S2/c1-14-6-9-20-21(10-14)26-22(25-20)19-8-7-18(17(12-23)13-24)15-4-2-3-5-16(19)11-15/h2-10H,11H2,1H3/b22-19+
InChIKey GQLHRAIBUVKJKF-ZBJSNUHESA-N
Mol Weight 370.49 g/mol
Molecular Formula C22H14N2S2
Exact Mass 370.059841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQ3XY6Uvjgv
Name Propanedinitrile, [5-(5-methyl-1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-3,6,8,10 -tetraen-2-ylidene]-, (Z)-(.+-.)-
CAS Registry Number 84264-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N2S2
InChI InChI=1S/C22H14N2S2/c1-14-6-9-20-21(10-14)26-22(25-20)19-8-7-18(17(12-23)13-24)15-4-2-3-5-16(19)11-15/h2-10H,11H2,1H3/b22-19+
InChIKey GQLHRAIBUVKJKF-ZBJSNUHESA-N
Molecular Weight 370.488 g/mol
SMILES C=12\C(=C\3Sc4cc(C)ccc4S3)C=CC(C(C2)=CC=CC1)=C(C#N)C#N
SPLASH splash10-00di-1019000000-6a489fbc0b66e1b942d2
Source of Spectrum H-65-1340-0
Synonyms 1,3-Benzodithiole, propanedinitrile deriv. 2-[(5E)-5-(5-methyl-1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-2-ylidene]malononitrile Bicyclo[4.4.1]undecane, propanedinitrile deriv. x-methyl-2-(5-dicyanmethyliden-bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-2-yliden)-1,3-benzodithiol
Wiley ID 1354419