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2-[bis(methylsulfanyl)methylene]bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-5-one
SpectraBase Compound ID LtdaGC96a0u
InChI InChI=1S/C14H14OS2/c1-16-14(17-2)12-7-8-13(15)11-6-4-3-5-10(12)9-11/h3-8H,9H2,1-2H3
InChIKey PGUNWLWESCKFOO-UHFFFAOYSA-N
Mol Weight 262.38 g/mol
Molecular Formula C14H14OS2
Exact Mass 262.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsFpICCvU6v
Name 2-[bis(methylsulfanyl)methylene]bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-5-one
CAS Registry Number 104432-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14OS2
InChI InChI=1S/C14H14OS2/c1-16-14(17-2)12-7-8-13(15)11-6-4-3-5-10(12)9-11/h3-8H,9H2,1-2H3
InChIKey PGUNWLWESCKFOO-UHFFFAOYSA-N
Molecular Weight 262.385 g/mol
SMILES C1(C=2CC(=CC=CC2)C(C=C1)=O)=C(SC)SC
SPLASH splash10-00r2-0490000000-a952485ebdf6f1caa225
Source of Spectrum H-68-2082-5
Synonyms 2-[bis(methylsulfanyl)methylidene]bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-5-one 2-[bis(methylthio)methylene]bicyclo[4.4.1]undeca-1(10),3,6,8-tetraen-5-one 2-[bis(methylthio)methylidene]-5-bicyclo[4.4.1]undeca-1(10),3,6,8-tetraenone
Wiley ID 1265645