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5-(3-Oxocyclohexyl)pentyl acetate
SpectraBase Compound ID FPjbDp6ZimF
InChI InChI=1S/C13H22O3/c1-11(14)16-9-4-2-3-6-12-7-5-8-13(15)10-12/h12H,2-10H2,1H3
InChIKey INSIKZHLKOYNOX-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8TozwrJD4MO
Name 5-(3-Oxocyclohexyl)pentyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-11(14)16-9-4-2-3-6-12-7-5-8-13(15)10-12/h12H,2-10H2,1H3
InChIKey INSIKZHLKOYNOX-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C(=O)(OCCCCCC1CC(=O)CCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900967