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1,3-Benzodithiole, bicyclo[4.4.1]undeca-4,6,8,10-tetraen-3-one deriv.
SpectraBase Compound ID 9yG6uEqMqrw
InChI InChI=1S/C18H12OS2/c19-14-10-9-12-5-1-2-6-13(11-12)17(14)18-20-15-7-3-4-8-16(15)21-18/h1-10H,11H2
InChIKey WOOYMMCJBRKHBQ-UHFFFAOYSA-N
Mol Weight 308.41 g/mol
Molecular Formula C18H12OS2
Exact Mass 308.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kswr3cNpmf
Name 1,3-Benzodithiole, bicyclo[4.4.1]undeca-4,6,8,10-tetraen-3-one deriv.
CAS Registry Number 119215-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12OS2
InChI InChI=1S/C18H12OS2/c19-14-10-9-12-5-1-2-6-13(11-12)17(14)18-20-15-7-3-4-8-16(15)21-18/h1-10H,11H2
InChIKey WOOYMMCJBRKHBQ-UHFFFAOYSA-N
Molecular Weight 308.413 g/mol
SMILES C1(=C2C=3CC(=CC=CC3)C=CC2=O)Sc2ccccc2S1
SPLASH splash10-0a6r-0869000000-fdb8b2d45bab0a35d52e
Source of Spectrum H-71-1247-15
Synonyms Bicyclo[4.4.1]undeca-4,6,8,10-tetraen-3-one, 2-(1,3-benzodithiol-2-ylidene)- 2-(1,3-benzodithiol-2-ylidene)bicyclo[4.4.1]undeca-1(10),4,6,8-tetraen-3-one 2-(5-oxobicyclo[4.4.1]undeca-3,6,8,10-tetraen-2-ylidene)-1,3-benzodithiol
Wiley ID 1309848