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5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)isoxazole

View entire compound with spectra: 1 MS (GC)

5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)isoxazole
SpectraBase Compound ID JCOu0sbFwsN
InChI InChI=1S/C15H13NO3S/c1-20-15-9-12(16-19-15)5-3-2-4-11-6-7-13-14(8-11)18-10-17-13/h2-9H,10H2,1H3/b4-2-,5-3-
InChIKey CQZVLPZHOGQTFO-JVLMNHKTSA-N
Mol Weight 287.33 g/mol
Molecular Formula C15H13NO3S
Exact Mass 287.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNikO8wG17u
Name 5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)isoxazole
Alternate Name(s) 3-[(1Z,3Z)-4-(1,3-benzodioxol-5-yl)-1,3-butadienyl]-5-(methylsulfanyl)isoxazole 3-[(1Z,3Z)-4-(1,3-benzodioxol-5-yl)-1,3-butadienyl]-5-isoxazolyl methyl sulfide 5-Methylthio-3-[4'-(3'',4''-methylenedioxyphenyl)-1',3'-butadienyl]isoxazole
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Formula C15H13NO3S
InChI InChI=1S/C15H13NO3S/c1-20-15-9-12(16-19-15)5-3-2-4-11-6-7-13-14(8-11)18-10-17-13/h2-9H,10H2,1H3/b4-2-,5-3-
InChIKey CQZVLPZHOGQTFO-JVLMNHKTSA-N
Molecular Weight 287.333 g/mol
SMILES c1c(onc1\C=C/C=C\c1cc2OCOc2cc1)SC
SPLASH splash10-01pc-0090000000-e1905c1f5fd0d3fcc1ca
Source of Spectrum Y-28-1345-2
Wiley ID 1290736