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3-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-5-(methylthio)isoxazole
SpectraBase Compound ID 8oYpkcqCsHl
InChI InChI=1S/C17H17NO2S/c1-19-16-11-9-14(10-12-16)7-5-3-4-6-8-15-13-17(21-2)20-18-15/h3-13H,1-2H3/b4-3+,7-5+,8-6+
InChIKey KGZDPUDKERLKNV-OKWWDJPNSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z3ya4WFCqO
Name 3-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-5-(methylthio)isoxazole
Alternate Name(s) 3-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-5-methylsulfanyl-1,2-oxazole 3-[(1E,3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trienyl]-5-methylsulfanyl-isoxazole
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Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-19-16-11-9-14(10-12-16)7-5-3-4-6-8-15-13-17(21-2)20-18-15/h3-13H,1-2H3/b4-3+,7-5+,8-6+
InChIKey KGZDPUDKERLKNV-OKWWDJPNSA-N
Molecular Weight 299.388 g/mol
SMILES c1c(onc1\C=C\C=C\C=C\c1ccc(cc1)OC)SC
SPLASH splash10-0udi-0090000000-31c523f8079d3e6c1613
Source of Spectrum Y-28-1345-2
Wiley ID 1301993