7-(Diphenylamino)-4-hydroxy-2,5-dioxo-N,N-diphenyl-2H,5H-pyrano[4,3-b]pyrane-8-carboxamide

SpectraBase Compound ID	5n91eZ0ZSbm
InChI	InChI=1S/C33H22N2O6/c36-26-21-27(37)40-30-28(26)33(39)41-32(35(24-17-9-3-10-18-24)25-19-11-4-12-20-25)29(30)31(38)34(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-21,36H
InChIKey	PXTABEBDVKMVOR-UHFFFAOYSA-N Google Search
Mol Weight	542.5 g/mol
Molecular Formula	C33H22N2O6
Exact Mass	542.147786 g/mol

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SpectraBase Spectrum ID	4a34c6LCYl4
Name	7-(Diphenylamino)-4-hydroxy-2,5-dioxo-N,N-diphenyl-2H,5H-pyrano[4,3-B]pyrane-8-carboxamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	542.147786430 u
Formula	C33H22N2O6
InChI	InChI=1S/C33H22N2O6/c36-26-21-27(37)40-30-28(26)33(39)41-32(35(24-17-9-3-10-18-24)25-19-11-4-12-20-25)29(30)31(38)34(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-21,36H
InChIKey	PXTABEBDVKMVOR-UHFFFAOYSA-N
Molecular Weight	542.547 g/mol
SMILES	C1(=C(OC(C2=C1OC(C=C2O)=O)=O)N(C=1C=CC=CC1)C=1C=CC=CC1)C(N(C1=CC=CC=C1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.842402