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2-Butyl-6-phenethyltetrahydro-4H-pyran-4-one

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Butyl-6-phenethyltetrahydro-4H-pyran-4-one
SpectraBase Compound ID 2W3P8RhCClE
InChI InChI=1S/C17H24O2/c1-2-3-9-16-12-15(18)13-17(19-16)11-10-14-7-5-4-6-8-14/h4-8,16-17H,2-3,9-13H2,1H3
InChIKey VUZUBAVPNHLAHK-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 44kYwaNY5dE
Name 2-Butyl-6-phenethyltetrahydro-4H-pyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-2-3-9-16-12-15(18)13-17(19-16)11-10-14-7-5-4-6-8-14/h4-8,16-17H,2-3,9-13H2,1H3
InChIKey VUZUBAVPNHLAHK-UHFFFAOYSA-N
Molecular Weight 260.377 g/mol
SMILES C1(=O)CC(OC(C1)CCC1=CC=CC=C1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896223