Bis[3,3'-(2-phenylamino)quinazolin-4(3H)-one]ethane

SpectraBase Compound ID	BSSvaPpYEWa
InChI	InChI=1S/C30H24N6O2/c37-27-23-15-7-9-17-25(23)33-29(31-21-11-3-1-4-12-21)35(27)19-20-36-28(38)24-16-8-10-18-26(24)34-30(36)32-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,31,33)(H,32,34)
InChIKey	RHNQQMBGUHTDRJ-UHFFFAOYSA-N Google Search
Mol Weight	500.56 g/mol
Molecular Formula	C30H24N6O2
Exact Mass	500.196074 g/mol

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SpectraBase Spectrum ID	HE0eDEMQGTG
Name	bis[3,3'-(2-Phenylamino)quinazolin-4(3H)-one]ethane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	500.196074035 u
Formula	C30H24N6O2
InChI	InChI=1S/C30H24N6O2/c37-27-23-15-7-9-17-25(23)33-29(31-21-11-3-1-4-12-21)35(27)19-20-36-28(38)24-16-8-10-18-26(24)34-30(36)32-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,31,33)(H,32,34)
InChIKey	RHNQQMBGUHTDRJ-UHFFFAOYSA-N
Molecular Weight	500.562 g/mol
SMILES	C=1(N(C(C2=C(N1)C=CC=C2)=O)CCN1C(=NC=2C(C1=O)=CC=CC2)NC1=CC=CC=C1)NC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.864179