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4-(Hydroxymethyl)-2-[.alpha.-(phenylthio)benzylidene]-1,3-dioxolane
SpectraBase Compound ID HPe7xgAHvQS
InChI InChI=1S/C17H16O3S/c18-11-14-12-19-17(20-14)16(13-7-3-1-4-8-13)21-15-9-5-2-6-10-15/h1-10,14,18H,11-12H2/b17-16+
InChIKey MRYDWXIGZVHMPZ-WUKNDPDISA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFntnYHGOjP
Name 4-(Hydroxymethyl)-2-[.alpha.-(phenylthio)benzylidene]-1,3-dioxolane
Alternate Name(s) 4-(Hydroxymethyl)-2-[.alpha.-(phenylthio)benzyl]-1,3-dioxolane {(2E)-2-[phenyl(phenylsulfanyl)methylene]-1,3-dioxolan-4-yl}methanol
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Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c18-11-14-12-19-17(20-14)16(13-7-3-1-4-8-13)21-15-9-5-2-6-10-15/h1-10,14,18H,11-12H2/b17-16+
InChIKey MRYDWXIGZVHMPZ-WUKNDPDISA-N
Molecular Weight 300.372 g/mol
SMILES OCC1O\C(=C/(Sc2ccccc2)c2ccccc2)OC1
SPLASH splash10-0fk9-0903000000-4a4f41d8c6f1436f838b
Source of Spectrum H1-41-646-9
Wiley ID 757226