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2-Methyl-2-(2-oxo-2-phenylethyl)-1,3-cyclopentanedione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Methyl-2-(2-oxo-2-phenylethyl)-1,3-cyclopentanedione
SpectraBase Compound ID DCb1Qf4jRGd
InChI InChI=1S/C14H14O3/c1-14(12(16)7-8-13(14)17)9-11(15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey SJZRQOVIICYROV-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KbbZnJRHj2G
Name 2-Methyl-2-(2-oxo-2-phenylethyl)-1,3-cyclopentanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.094294308 u
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-14(12(16)7-8-13(14)17)9-11(15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey SJZRQOVIICYROV-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C1(CC(=O)C=2C=CC=CC2)(C(CCC1=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879171