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5(4H)-isoxazolone, 4-[[4-(methylthio)phenyl]methylene]-3-phenyl-, (4E)-
SpectraBase Compound ID FC7MclQ8wBN
InChI InChI=1S/C17H13NO2S/c1-21-14-9-7-12(8-10-14)11-15-16(18-20-17(15)19)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKey AOZSYCFAFQYRPY-RVDMUPIBSA-N
Mol Weight 295.36 g/mol
Molecular Formula C17H13NO2S
Exact Mass 295.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ak4sBCIksJ
Name (4E)-4-[(4-methylsulfanylphenyl)methylene]-3-phenyl-isoxazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO2S
InChI InChI=1S/C17H13NO2S/c1-21-14-9-7-12(8-10-14)11-15-16(18-20-17(15)19)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKey AOZSYCFAFQYRPY-RVDMUPIBSA-N
Molecular Weight 295.356 g/mol
SMILES C=1(\C(C(ON1)=O)=C/c1ccc(cc1)SC)c1ccccc1
SPLASH splash10-0002-3920000000-eab25ee2a5258b50a8e5
Synonyms (4E)-4-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (4E)-4-[4-(methylthio)benzylidene]-3-phenyl-2-isoxazolin-5-one (4E)-4-[[4-(methylthio)phenyl]methylidene]-3-phenyl-5-isoxazolone
Wiley ID 1451036