1,3,5-Hexanetrione 1-[p-bromophenyl]-

SpectraBase Compound ID	GvwtAunt2YV
InChI	InChI=1S/C12H11BrO3/c1-8(14)6-11(15)7-12(16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3
InChIKey	YEULDDBMQYUSKG-UHFFFAOYSA-N Google Search
Mol Weight	283.12 g/mol
Molecular Formula	C12H11BrO3
Exact Mass	281.989157 g/mol

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SpectraBase Spectrum ID	32IXhAfIEj6
Name	1,3,5-Hexanetrione 1-[p-bromophenyl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	281.989157211 u
Formula	C12H11BrO3
InChI	InChI=1S/C12H11BrO3/c1-8(14)6-11(15)7-12(16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3
InChIKey	YEULDDBMQYUSKG-UHFFFAOYSA-N
Molecular Weight	283.121 g/mol
SMILES	C1=C(C=CC(=C1)Br)C(CC(CC(C)=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.941475