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5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-(methylthio)isoxazole
SpectraBase Compound ID 5Y3WQfILZw0
InChI InChI=1S/C17H15NO3S/c1-22-17-11-14(21-18-17)7-5-3-2-4-6-13-8-9-15-16(10-13)20-12-19-15/h2-11H,12H2,1H3/b3-2+,6-4+,7-5+
InChIKey LDBXLOIBYWGYJW-NYYLHBDNSA-N
Mol Weight 313.37 g/mol
Molecular Formula C17H15NO3S
Exact Mass 313.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYxOfFQBOts
Name 5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-(methylthio)isoxazole
Alternate Name(s) 5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-methylsulfanyl-1,2-oxazole 5-[(1E,3E,5E)-6-(1,3-benzodioxol-5-yl)hexa-1,3,5-trienyl]-3-methylsulfanyl-isoxazole
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Formula C17H15NO3S
InChI InChI=1S/C17H15NO3S/c1-22-17-11-14(21-18-17)7-5-3-2-4-6-13-8-9-15-16(10-13)20-12-19-15/h2-11H,12H2,1H3/b3-2+,6-4+,7-5+
InChIKey LDBXLOIBYWGYJW-NYYLHBDNSA-N
Molecular Weight 313.371 g/mol
SMILES c1(noc(c1)\C=C\C=C\C=C\c1cc2OCOc2cc1)SC
SPLASH splash10-03di-0039000000-ed94beb4cc2add411503
Source of Spectrum Y-28-1346-3
Wiley ID 1314217