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3-(.alpha.-Cyclohexylphenylmethyl)tetrahydrofuran-2-one

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

3-(.alpha.-Cyclohexylphenylmethyl)tetrahydrofuran-2-one
SpectraBase Compound ID CqkeffSqLMu
InChI InChI=1S/C17H22O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12H2
InChIKey SHCDKFNLNCWGHQ-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DANcwTVSatj
Name 3-(.alpha.-Cyclohexylphenylmethyl)tetrahydrofuran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.161979946 u
Formula C17H22O2
InChI InChI=1S/C17H22O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12H2
InChIKey SHCDKFNLNCWGHQ-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C1(C(C(C2=CC=CC=C2)C2CCCCC2)CCO1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896628