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2-Benzyl-2-methylcyclopent-4-ene-1,3-dione

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2-Benzyl-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID 6lPMCkxvZqX
InChI InChI=1S/C13H12O2/c1-13(11(14)7-8-12(13)15)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey APUBINGLEHIWCN-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 96fPI2Npt23
Name 2-Benzyl-2-methylcyclopent-4-ene-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.083729624 u
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-13(11(14)7-8-12(13)15)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey APUBINGLEHIWCN-UHFFFAOYSA-N
Molecular Weight 200.237 g/mol
SMILES C1(=O)C=CC(=O)C1(CC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959218