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3,3-bis(4'-Methoxybenzyl)-1H-quinoline-2,4-dione

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

3,3-bis(4'-Methoxybenzyl)-1H-quinoline-2,4-dione
SpectraBase Compound ID BcfKUpl5a7l
InChI InChI=1S/C25H23NO4/c1-29-19-11-7-17(8-12-19)15-25(16-18-9-13-20(30-2)14-10-18)23(27)21-5-3-4-6-22(21)26-24(25)28/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKey DZODZSMZKOTKOX-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C25H23NO4
Exact Mass 401.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FwpubTzYXNf
Name 3,3-bis(4'-Methoxybenzyl)-1H-quinoline-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.162708221 u
Formula C25H23NO4
InChI InChI=1S/C25H23NO4/c1-29-19-11-7-17(8-12-19)15-25(16-18-9-13-20(30-2)14-10-18)23(27)21-5-3-4-6-22(21)26-24(25)28/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKey DZODZSMZKOTKOX-UHFFFAOYSA-N
Molecular Weight 401.462 g/mol
SMILES C1(C(NC=2C(C1=O)=CC=CC2)=O)(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953918