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2-(Pyridin-3-yl)quinazolin-4(3H)-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(Pyridin-3-yl)quinazolin-4(3H)-one
SpectraBase Compound ID EPfCsRhsWfo
InChI InChI=1S/C13H9N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8H,(H,15,16,17)
InChIKey WXCVPMGPMMEPBB-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C13H9N3O
Exact Mass 223.074562 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CKAmN6JE3PW
Name 2-(Pyridin-3-yl)quinazolin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.074561921 u
Formula C13H9N3O
InChI InChI=1S/C13H9N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8H,(H,15,16,17)
InChIKey WXCVPMGPMMEPBB-UHFFFAOYSA-N
Molecular Weight 223.235 g/mol
SMILES C=1C=C2C(NC(=NC2=CC1)C1=CN=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897236