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Cyclohexanone, 2-[4-(1,3-dioxolan-2-yl)butyl]-

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

Cyclohexanone, 2-[4-(1,3-dioxolan-2-yl)butyl]-
SpectraBase Compound ID DumRfe2jHoQ
InChI InChI=1S/C13H22O3/c14-12-7-3-1-5-11(12)6-2-4-8-13-15-9-10-16-13/h11,13H,1-10H2
InChIKey HVRLLXLKNOYNFQ-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 GIOa3UbN0xg
Name Cyclohexanone, 2-[4-(1,3-dioxolan-2-yl)butyl]-
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/c14-12-7-3-1-5-11(12)6-2-4-8-13-15-9-10-16-13/h11,13H,1-10H2
InChIKey HVRLLXLKNOYNFQ-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1(=O)C(CCCCC2OCCO2)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889801