1-(Dibenzo[b,E][1,4]dioxin-2-yl)-3-(3-fluorenyl)urea

SpectraBase Compound ID	IJP0K5YoJtC
InChI	InChI=1S/C26H18N2O3/c29-26(27-18-10-9-17-13-16-5-1-2-6-20(16)21(17)14-18)28-19-11-12-24-25(15-19)31-23-8-4-3-7-22(23)30-24/h1-12,14-15H,13H2,(H2,27,28,29)
InChIKey	WYDVFZQWCHBCMQ-UHFFFAOYSA-N Google Search
Mol Weight	406.44 g/mol
Molecular Formula	C26H18N2O3
Exact Mass	406.131742 g/mol

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SpectraBase Spectrum ID	AtknodbQtnd
Name	1-(Dibenzo[B,E][1,4]dioxin-2-yl)-3-(3-fluorenyl)urea
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	406.131742445 u
Formula	C26H18N2O3
InChI	InChI=1S/C26H18N2O3/c29-26(27-18-10-9-17-13-16-5-1-2-6-20(16)21(17)14-18)28-19-11-12-24-25(15-19)31-23-8-4-3-7-22(23)30-24/h1-12,14-15H,13H2,(H2,27,28,29)
InChIKey	WYDVFZQWCHBCMQ-UHFFFAOYSA-N
Molecular Weight	406.441 g/mol
SMILES	C=12C3=C(C=CC=C3)CC1C=CC(NC(NC=1C=C3OC=4C=CC=CC4OC3=CC1)=O)=C2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.959609