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2-(4-Benzoxyphenyl)-2-methyl-tetrahydropyran-3-one

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

2-(4-Benzoxyphenyl)-2-methyl-tetrahydropyran-3-one
SpectraBase Compound ID FgYf87XDdvJ
InChI InChI=1S/C19H20O3/c1-19(18(20)8-5-13-22-19)16-9-11-17(12-10-16)21-14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKey YWYDBEFADXBXLB-UHFFFAOYSA-N
Mol Weight 296.37 g/mol
Molecular Formula C19H20O3
Exact Mass 296.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KeQVxABqMKF
Name 2-(4-Benzoxyphenyl)-2-methyl-tetrahydropyran-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.141244501 u
Formula C19H20O3
InChI InChI=1S/C19H20O3/c1-19(18(20)8-5-13-22-19)16-9-11-17(12-10-16)21-14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKey YWYDBEFADXBXLB-UHFFFAOYSA-N
Molecular Weight 296.366 g/mol
SMILES C1(C(=O)CCCO1)(C=1C=CC(OCC=2C=CC=CC2)=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938979