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YTFINCCOQGILPI-ZZXKWVIFSA-N
SpectraBase Compound ID FjK1hMgVqLb
InChI InChI=1S/C13H13NO2S/c1-15-12-7-4-10(5-8-12)3-6-11-9-13(17-2)16-14-11/h3-9H,1-2H3/b6-3+
InChIKey YTFINCCOQGILPI-ZZXKWVIFSA-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 4mhGI7RKzI
Name 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(methylthio)isoxazole
Alternate Name(s) 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-methylsulfanyl-1,2-oxazole 3-[(E)-2-(4-methoxyphenyl)vinyl]-5-(methylthio)isoxazole 3-[(E)-2-(4-methoxyphenyl)vinyl]-5-methylsulfanyl-isoxazole
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Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-15-12-7-4-10(5-8-12)3-6-11-9-13(17-2)16-14-11/h3-9H,1-2H3/b6-3+
InChIKey YTFINCCOQGILPI-ZZXKWVIFSA-N
Molecular Weight 247.312 g/mol
SMILES c1c(onc1\C=C\c1ccc(cc1)OC)SC
SPLASH splash10-0feb-0690000000-4383fa66f013f1ae667a
Source of Spectrum Y-28-1345-2
Wiley ID 1249908