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1-(2-Ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1-hexanone
SpectraBase Compound ID 5lhq3CYhqxI
InChI InChI=1S/C14H26O2/c1-4-6-7-8-13(15)12-9-10-16-14(3,5-2)11-12/h12H,4-11H2,1-3H3
InChIKey NGFCCJPHTUMKQJ-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1hXVm0CaYo8
Name 1-(2-Ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1-hexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-4-6-7-8-13(15)12-9-10-16-14(3,5-2)11-12/h12H,4-11H2,1-3H3
InChIKey NGFCCJPHTUMKQJ-UHFFFAOYSA-N
Molecular Weight 226.360 g/mol
SMILES C(CCCCC)(=O)C1CC(CC)(C)OCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986101