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4-Methyl-5-oxo-2-[(phenylthio)-sulfanylidenemethyl]-3-isoxazolecarboxylic acid ethyl ester
SpectraBase Compound ID 1vlcELuxwU1
InChI InChI=1S/C14H13NO4S2/c1-3-18-13(17)11-9(2)12(16)19-15(11)14(20)21-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey CYGDGBMSUSXQGW-UHFFFAOYSA-N
Mol Weight 323.38 g/mol
Molecular Formula C14H13NO4S2
Exact Mass 323.0286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZUapq6KU0W
Name 4-Methyl-5-oxo-2-[(phenylthio)-sulfanylidenemethyl]-3-isoxazolecarboxylic acid ethyl ester
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Formula C14H13NO4S2
InChI InChI=1S/C14H13NO4S2/c1-3-18-13(17)11-9(2)12(16)19-15(11)14(20)21-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey CYGDGBMSUSXQGW-UHFFFAOYSA-N
Molecular Weight 323.381 g/mol
SMILES C=1(N(OC(C1C)=O)C(Sc1ccccc1)=S)C(=O)OCC
SPLASH splash10-053r-0910000000-2096c4460150f90a95f0
Source of Spectrum KC-0-2676-12
Synonyms 5-keto-4-methyl-2-(phenylthio)carbothioyl-3-isoxazoline-3-carboxylic acid ethyl ester Ethyl 4-methyl-5-oxidanylidene-2-phenylsulfanylcarbothioyl-1,2-oxazole-3-carboxylate Ethyl 4-methyl-5-oxo-2-phenylsulfanylcarbothioyl-1,2-oxazole-3-carboxylate Ethyl 4-methyl-5-oxo-2-phenylsulfanylcarbothioyl-isoxazole-3-carboxylate
Wiley ID 823487