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2-[.alpha.-(Phenylthio)benzylidene)-1,3-dioxepane
SpectraBase Compound ID GZaohcqOY3V
InChI InChI=1S/C18H18O2S/c1-3-9-15(10-4-1)17(18-19-13-7-8-14-20-18)21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey VTQYCTAAYYMUCP-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C18H18O2S
Exact Mass 298.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvlpxWmqvIL
Name 2-[.alpha.-(Phenylthio)benzylidene)-1,3-dioxepane
Alternate Name(s) 1,3-Dioxepan-2-ylidene(phenyl)methyl phenyl sulfide 2-((Phenylthio)benzylidene)-1,3-dioxepane 2-[phenyl(phenylsulfanyl)methylene]-1,3-dioxepane
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Formula C18H18O2S
InChI InChI=1S/C18H18O2S/c1-3-9-15(10-4-1)17(18-19-13-7-8-14-20-18)21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey VTQYCTAAYYMUCP-UHFFFAOYSA-N
Molecular Weight 298.400 g/mol
SMILES C(=C1OCCCCO1)(Sc1ccccc1)c1ccccc1
SPLASH splash10-07os-0910000000-5dc9ea964cc2872dcdba
Source of Spectrum H1-41-646-4
Wiley ID 757231