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4H-1-benzothiopyran-4-one, 2,3-dihydro-3-(4-oxo-2H-1-benzothiopyran-3(4H)-ylidene)-
SpectraBase Compound ID Agx12l6NBPE
InChI InChI=1S/C18H12O2S2/c19-17-11-5-1-3-7-15(11)21-9-13(17)14-10-22-16-8-4-2-6-12(16)18(14)20/h1-8H,9-10H2/b14-13+
InChIKey XTCOBIBHYQBRMR-BUHFOSPRSA-N
Mol Weight 324.41 g/mol
Molecular Formula C18H12O2S2
Exact Mass 324.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z8PWXRk2FT
Name 4H-1-benzothiopyran-4-one, 2,3-dihydro-3-(4-oxo-2H-1-benzothiopyran-3(4H)-ylidene)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12O2S2
InChI InChI=1S/C18H12O2S2/c19-17-11-5-1-3-7-15(11)21-9-13(17)14-10-22-16-8-4-2-6-12(16)18(14)20/h1-8H,9-10H2/b14-13+
InChIKey XTCOBIBHYQBRMR-BUHFOSPRSA-N
Molecular Weight 324.412 g/mol
SMILES C1(=O)\C(CSc2ccccc12)=C/1CSc2ccccc2C1=O
SPLASH splash10-03di-4900000000-9d78e5b7f41d484fd0ff
Source of Spectrum JX-2015-3-377
Synonyms (E)-[3,3'-bithiochromanylidene]-4,4'-dione (3E)-3-(4-oxo-1-benzothiopyran-3-ylidene)-1-benzothiopyran-4-one (3E)-3-(4-oxothiochromen-3-ylidene)thiochromen-4-one (3E)-3-(4-oxothiochroman-3-ylidene)thiochroman-4-one (3E)-3-(4-oxidanylidenethiochromen-3-ylidene)thiochromen-4-one
Wiley ID 1723948