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5-[(4-tert-butylphenyl)-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
SpectraBase Compound ID F1hbhGNBIjE
InChI InChI=1S/C18H22O4S/c1-17(2,3)12-9-7-11(8-10-12)14(23-6)13-15(19)21-18(4,5)22-16(13)20/h7-10H,1-6H3
InChIKey RAZOOMAQVBDVTI-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C18H22O4S
Exact Mass 334.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyhQcQctv2v
Name 5-[(4-tert-butylphenyl)-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
Alternate Name(s) 5-[(4-tert-butylphenyl)-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[(4-tert-butylphenyl)-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[(4-tert-butylphenyl)-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
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Formula C18H22O4S
InChI InChI=1S/C18H22O4S/c1-17(2,3)12-9-7-11(8-10-12)14(23-6)13-15(19)21-18(4,5)22-16(13)20/h7-10H,1-6H3
InChIKey RAZOOMAQVBDVTI-UHFFFAOYSA-N
Molecular Weight 334.430 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=C(c1ccc(C(C)(C)C)cc1)SC
SPLASH splash10-014r-0971000000-45e6425f783d23149b15
Source of Spectrum KC-0-1213-20
Wiley ID 783725