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

SpectraBase Compound ID	F4pGCIoRwUt
InChI	InChI=1S/C12H11ClO3/c1-8(14)6-11(15)7-12(16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3
InChIKey	FLWUBJYHFCGRRD-UHFFFAOYSA-N Google Search
Mol Weight	238.67 g/mol
Molecular Formula	C12H11ClO3
Exact Mass	238.039672 g/mol

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SpectraBase Spectrum ID	ByZGqKui5z1
Name	1,3,5-Hexanetrione 1-[p-chlorophenyl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	238.039671911 u
Formula	C12H11ClO3
InChI	InChI=1S/C12H11ClO3/c1-8(14)6-11(15)7-12(16)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3
InChIKey	FLWUBJYHFCGRRD-UHFFFAOYSA-N
Molecular Weight	238.670 g/mol
SMILES	C1=C(C=CC(=C1)Cl)C(CC(CC(=O)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.969547