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2,2-dimethyl-5-[(phenylthio)methylene]-1,3-dioxane-4,6-quinone
SpectraBase Compound ID JurLzZl8SHG
InChI InChI=1S/C13H12O4S/c1-13(2)16-11(14)10(12(15)17-13)8-18-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BBVVJBWABOEYHL-UHFFFAOYSA-N
Mol Weight 264.29 g/mol
Molecular Formula C13H12O4S
Exact Mass 264.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ka0zVE6rdqg
Name 2,2-Dimethyl-5-(phenylthiomethylene)-1,3-dioxame-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4S
InChI InChI=1S/C13H12O4S/c1-13(2)16-11(14)10(12(15)17-13)8-18-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BBVVJBWABOEYHL-UHFFFAOYSA-N
Molecular Weight 264.295 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=CSc1ccccc1
SPLASH splash10-0bu0-0790000000-ff4860b547e7ebeede55
Source of Spectrum SO-0-1068-2
Synonyms 2,2-Dimethyl-5-[(phenylthio)methylidene]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-(phenylsulfanylmethylene)-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-(phenylsulfanylmethylidene)-1,3-dioxane-4,6-dione
Wiley ID 1544467