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2-(Pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one

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2-(Pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one
SpectraBase Compound ID 5JC3g0QFAP4
InChI InChI=1S/C13H11N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8,12,15H,(H,16,17)
InChIKey ZQROQEKRGLIYPL-UHFFFAOYSA-N
Mol Weight 225.25 g/mol
Molecular Formula C13H11N3O
Exact Mass 225.090212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HCnvr0sIViI
Name 2-(3-Pyridinyl)-2,3-dihydro-4(1H)-quinazolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.090211985 u
Formula C13H11N3O
InChI InChI=1S/C13H11N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8,12,15H,(H,16,17)
InChIKey ZQROQEKRGLIYPL-UHFFFAOYSA-N
Molecular Weight 225.251 g/mol
SMILES C1(NC=2C(C(N1)=O)=CC=CC2)C1=CN=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85855