1,3,6-Tri(4-methoxyphenyl)-4-phenylpyrrolo[3,2-b]pyrrole-2,5-dione

SpectraBase Compound ID	6jljUFBoU4v
InChI	InChI=1S/C33H26N2O5/c1-38-25-15-9-21(10-16-25)28-30-31(35(33(28)37)24-13-19-27(40-3)20-14-24)29(22-11-17-26(39-2)18-12-22)32(36)34(30)23-7-5-4-6-8-23/h4-20H,1-3H3
InChIKey	CVJIVIFTSOHNOT-UHFFFAOYSA-N Google Search
Mol Weight	530.6 g/mol
Molecular Formula	C33H26N2O5
Exact Mass	530.184172 g/mol

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SpectraBase Spectrum ID	B14jmOAscub
Name	1,3,6-tri(4-Methoxyphenyl)-4-phenylpyrrolo[3,2-B]pyrrole-2,5-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	530.184171940 u
Formula	C33H26N2O5
InChI	InChI=1S/C33H26N2O5/c1-38-25-15-9-21(10-16-25)28-30-31(35(33(28)37)24-13-19-27(40-3)20-14-24)29(22-11-17-26(39-2)18-12-22)32(36)34(30)23-7-5-4-6-8-23/h4-20H,1-3H3
InChIKey	CVJIVIFTSOHNOT-UHFFFAOYSA-N
Molecular Weight	530.580 g/mol
SMILES	C=12N(C(C(=C2N(C(C1C=1C=CC(=CC1)OC)=O)C=1C=CC=CC1)C=1C=CC(=CC1)OC)=O)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.891881