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1-Phenyl-1,3,5-hexanetrione
SpectraBase Compound ID 6e3rrgap4jK
InChI InChI=1S/C12H12O3/c1-9(13)7-11(14)8-12(15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey PWYYHTLZMQHPLP-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLqWyVitm2Z
Name 1-Phenyl-1,3,5-hexanetrione
CAS Registry Number 1469-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-9(13)7-11(14)8-12(15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey PWYYHTLZMQHPLP-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES CC(CC(CC(=O)c1ccccc1)=O)=O
SPLASH splash10-0cfu-9700000000-2fe7c356cca90433ed10
Source of Spectrum HE-1982-0-0
Synonyms 1,3,5-Hexanetrione, 1-phenyl- 1-Phenylhexane-1,3,5-trione
Wiley ID 1201790