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3-(14-Hydroxyteradecyl)-2-cyclohexen-1-one

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

3-(14-Hydroxyteradecyl)-2-cyclohexen-1-one
SpectraBase Compound ID 9PHFjvZKvVA
InChI InChI=1S/C20H36O2/c21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-19-15-13-16-20(22)18-19/h18,21H,1-17H2
InChIKey GOFNAJYJBAOKOD-UHFFFAOYSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 806kZO9s9aC
Name 3-(14-Hydroxyteradecyl)-2-cyclohexen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.271530397 u
Formula C20H36O2
InChI InChI=1S/C20H36O2/c21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-19-15-13-16-20(22)18-19/h18,21H,1-17H2
InChIKey GOFNAJYJBAOKOD-UHFFFAOYSA-N
Molecular Weight 308.506 g/mol
SMILES C1=C(CCCC1=O)CCCCCCCCCCCCCCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918594