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3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(methylthio)isoxazole
SpectraBase Compound ID 5qMX9A2Y0gQ
InChI InChI=1S/C13H11NO3S/c1-18-13-7-10(14-17-13)4-2-9-3-5-11-12(6-9)16-8-15-11/h2-7H,8H2,1H3/b4-2+
InChIKey QNWUDKIYCPAGON-DUXPYHPUSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUBPqi4g1Vk
Name 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(methylthio)isoxazole
Alternate Name(s) 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methylsulfanyl-1,2-oxazole 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-(methylthio)isoxazole 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-methylsulfanyl-isoxazole
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Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c1-18-13-7-10(14-17-13)4-2-9-3-5-11-12(6-9)16-8-15-11/h2-7H,8H2,1H3/b4-2+
InChIKey QNWUDKIYCPAGON-DUXPYHPUSA-N
Molecular Weight 261.295 g/mol
SMILES c1c(onc1\C=C\c1cc2OCOc2cc1)SC
SPLASH splash10-03di-0590000000-923d43729aab761369f9
Source of Spectrum Y-28-1345-2
Wiley ID 1264624