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2(5H)-Oxepinone, 3-(4-methoxyphenyl)-7-phenyl-

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

2(5H)-Oxepinone, 3-(4-methoxyphenyl)-7-phenyl-
SpectraBase Compound ID DuorCSrEryV
InChI InChI=1S/C19H16O3/c1-21-16-12-10-14(11-13-16)17-8-5-9-18(22-19(17)20)15-6-3-2-4-7-15/h2-4,6-13H,5H2,1H3
InChIKey NCSNLXZKORDDKE-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C19H16O3
Exact Mass 292.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9EPqUORXQa
Name 2(5H)-Oxepinone, 3-(4-methoxyphenyl)-7-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.109944372 u
Formula C19H16O3
InChI InChI=1S/C19H16O3/c1-21-16-12-10-14(11-13-16)17-8-5-9-18(22-19(17)20)15-6-3-2-4-7-15/h2-4,6-13H,5H2,1H3
InChIKey NCSNLXZKORDDKE-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)OC)C1=CCC=C(OC1=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83842