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1,4-Diphenyl-1,2,4-butanetrione
SpectraBase Compound ID K5VXICNMEJ
InChI InChI=1S/C16H12O3/c17-14(12-7-3-1-4-8-12)11-15(18)16(19)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey IGHNCOCVHRDKQI-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMbzQ3xxIm2
Name 1,4-Diphenyl-1,2,4-butanetrione
CAS Registry Number 33251-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O3
InChI InChI=1S/C16H12O3/c17-14(12-7-3-1-4-8-12)11-15(18)16(19)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey IGHNCOCVHRDKQI-UHFFFAOYSA-N
Molecular Weight 252.269 g/mol
SMILES c1cc(ccc1)C(=O)CC(=O)C(=O)c1ccccc1
SPLASH splash10-004i-5940000000-295091907c7ca107cdd6
Synonyms 1,2,4-Butanetrione, 1,4-diphenyl- 1,4-Diphenylbutane-1,2,4-trione
Wiley ID 1492371