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3-(methylthio)-5-p-phenetyl-isoxazole
SpectraBase Compound ID DFnN9UUx5Yu
InChI InChI=1S/C12H13NO2S/c1-3-14-10-6-4-9(5-7-10)11-8-12(16-2)13-15-11/h4-8H,3H2,1-2H3
InChIKey QJTURXKOUHLAOE-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MLHPqwkwjx
Name 3-(methylthio)-5-p-phenetyl-isoxazole
Alternate Name(s) 5-(4-Ethoxyphenyl)-3-(methylthio)isoxazole 5-(4-Ethoxyphenyl)-3-methylsulfanyl-1,2-oxazole
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Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-3-14-10-6-4-9(5-7-10)11-8-12(16-2)13-15-11/h4-8H,3H2,1-2H3
InChIKey QJTURXKOUHLAOE-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES c1(noc(c1)-c1ccc(cc1)OCC)SC
SPLASH splash10-000b-0950000000-00696c7d433e4c48b713
Source of Spectrum SO-0-22-4
Wiley ID 1540417