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2-Acetyl-3,3-dimethyl-2-(3-oxobutyl)cyclopentanone

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

2-Acetyl-3,3-dimethyl-2-(3-oxobutyl)cyclopentanone
SpectraBase Compound ID 9FiYCB36lxk
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13(10(2)15)11(16)6-7-12(13,3)4/h5-8H2,1-4H3
InChIKey PPRIGJGGNOHEGH-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DseGUjHQ9DY
Name 2-Acetyl-3,3-dimethyl-2-(3-oxo-butyl)-cyclopentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.141244501 u
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13(10(2)15)11(16)6-7-12(13,3)4/h5-8H2,1-4H3
InChIKey PPRIGJGGNOHEGH-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES CC(=O)C1(C(=O)CCC1(C)C)CCC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967979