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3-METHYLTHIO-5-[2-(PARA-METHOXYPHENYL)-ETHENYL]-ISOXAZOLE
SpectraBase Compound ID 9C3R2DBYMME
InChI InChI=1S/C13H13NO2S/c1-15-11-6-3-10(4-7-11)5-8-12-9-13(17-2)14-16-12/h3-9H,1-2H3/b8-5+
InChIKey BDQSWEUQIABEGB-VMPITWQZSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Lzx68Qw7ve
Name 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylthio)isoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-15-11-6-3-10(4-7-11)5-8-12-9-13(17-2)14-16-12/h3-9H,1-2H3/b8-5+
InChIKey BDQSWEUQIABEGB-VMPITWQZSA-N
Molecular Weight 247.312 g/mol
SMILES c1(noc(c1)\C=C\c1ccc(cc1)OC)SC
SPLASH splash10-03dj-0950000000-e4f249da4f46220f50a6
Source of Spectrum Y-28-1345-3
Synonyms 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfanyl-1,2-oxazole 5-[(E)-2-(4-methoxyphenyl)vinyl]-3-(methylthio)isoxazole 5-[(E)-2-(4-methoxyphenyl)vinyl]-3-methylsulfanyl-isoxazole
Wiley ID 1249909