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Scandium, tris(1,3-diphenyl-1,3-propanedionato)-
SpectraBase Compound ID Dma44S9FMie
InChI InChI=1S/3C15H12O2.Sc/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-11,16H;/b3*14-11-;
InChIKey PHLVIAVERYJPTI-VPWWGWCISA-N
Mol Weight 717.73 g/mol
Molecular Formula C45H36O6Sc
Exact Mass 717.207097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCTw9EwkOUU
Name Scandium, tris(1,3-diphenyl-1,3-propanedionato)-
CAS Registry Number 15133-54-7
Comments Note: The molecular formula of the structure shown is C45H36O6Sc - which differs from the formula reported for the mass spectrum (C45H33O6Sc)
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Formula C45H33O6Sc
InChI InChI=1S/3C15H12O2.Sc/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-11,16H;/b3*14-11-;
InChIKey PHLVIAVERYJPTI-VPWWGWCISA-N
Molecular Weight 717.733 g/mol
SMILES O\C(=C/C(=O)c1ccccc1)c1ccccc1.[Sc].O\C(=C/C(=O)c1ccccc1)c1ccccc1.O\C(=C/C(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0006-3220900400-03c4c0d2695cb115a263
Source of Spectrum T-68-5959-0
Synonyms Tris((2Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one) scandium Tris(1,3-diphenyl-1,3-propanedionato)scandium(III)
Wiley ID 66388