2-Cyclohexen-3-ol-1-one, 2-[9-phennonanoyl]-

SpectraBase Compound ID	E71bd9EsgcX
InChI	InChI=1S/C21H28O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,12-13,23H,1-4,6,9-11,14-16H2
InChIKey	QDFKFWDIFZVVOA-UHFFFAOYSA-N Google Search
Mol Weight	328.45 g/mol
Molecular Formula	C21H28O3
Exact Mass	328.203845 g/mol

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SpectraBase Spectrum ID	BFofE77isf
Name	2-Cyclohexen-3-ol-1-one, 2-[9-phennonanoyl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	328.203844759 u
Formula	C21H28O3
InChI	InChI=1S/C21H28O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,12-13,23H,1-4,6,9-11,14-16H2
InChIKey	QDFKFWDIFZVVOA-UHFFFAOYSA-N
Molecular Weight	328.452 g/mol
SMILES	C1CC(=C(C(C1)=O)C(CCCCCCCCC1=CC=CC=C1)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.905023