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(3,4-Dimethoxyphenyl)[5-methylsulfanyl-4-isoxazolyl]-methanone
SpectraBase Compound ID EYW67HkasRG
InChI InChI=1S/C13H13NO4S/c1-16-10-5-4-8(6-11(10)17-2)12(15)9-7-14-18-13(9)19-3/h4-7H,1-3H3
InChIKey AUGVUTWVMPSFDZ-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33xC49y0Q5m
Name (3,4-Dimethoxyphenyl)[5-methylsulfanyl-4-isoxazolyl]-methanone
Alternate Name(s) (3,4-dimethoxyphenyl)-[5-(methylthio)-4-isoxazolyl]methanone (3,4-dimethoxyphenyl)-(5-methylsulfanylisoxazol-4-yl)methanone (3,4-dimethoxyphenyl)-(5-methylsulfanyl-1,2-oxazol-4-yl)methanone
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Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-16-10-5-4-8(6-11(10)17-2)12(15)9-7-14-18-13(9)19-3/h4-7H,1-3H3
InChIKey AUGVUTWVMPSFDZ-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES c1(C(c2cc(OC)c(cc2)OC)=O)c(onc1)SC
SPLASH splash10-017i-0950000000-cb2617c08ee18a0c3f80
Source of Spectrum Y-45-1586-3d
Wiley ID 1666555