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2,2-Dimethyl-5-[(methylthio)-phenyl-methylene]-1,3-dioxane-4,6-quinone
SpectraBase Compound ID E46wAVuGLjZ
InChI InChI=1S/C14H14O4S/c1-14(2)17-12(15)10(13(16)18-14)11(19-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey BDDVZMZOQVWWNO-UHFFFAOYSA-N
Mol Weight 278.32 g/mol
Molecular Formula C14H14O4S
Exact Mass 278.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5etZ4TNfsEE
Name 2,2-Dimethyl-5-[(methylthio)-phenyl-methylene]-1,3-dioxane-4,6-quinone
Alternate Name(s) 2,2-Dimethyl-5-[(methylthio)-phenylmethylidene]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[methylsulfanyl(phenyl)methylidene]-1,3-dioxane-4,6-dione
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Formula C14H14O4S
InChI InChI=1S/C14H14O4S/c1-14(2)17-12(15)10(13(16)18-14)11(19-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey BDDVZMZOQVWWNO-UHFFFAOYSA-N
Molecular Weight 278.322 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=C(c1ccccc1)SC
SPLASH splash10-004i-1910000000-f77ea62405065f4b58ff
Source of Spectrum KC-0-1213-19
Wiley ID 783726