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2-Chloro-11H-pyrido[2,1-b]quinazolin-11-one

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

2-Chloro-11H-pyrido[2,1-b]quinazolin-11-one
SpectraBase Compound ID BFRfFQxHiz
InChI InChI=1S/C12H7ClN2O/c13-8-4-5-10-9(7-8)12(16)15-6-2-1-3-11(15)14-10/h1-7H
InChIKey TWGRTMZFUUQDHK-UHFFFAOYSA-N
Mol Weight 230.65 g/mol
Molecular Formula C12H7ClN2O
Exact Mass 230.024691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8fCvXORvQ3w
Name 2-Chloro-11H-pyrido[2,1-B]quinazolin-11-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.024690552 u
Formula C12H7ClN2O
InChI InChI=1S/C12H7ClN2O/c13-8-4-5-10-9(7-8)12(16)15-6-2-1-3-11(15)14-10/h1-7H
InChIKey TWGRTMZFUUQDHK-UHFFFAOYSA-N
Molecular Weight 230.654 g/mol
SMILES C1(=CC=C2C(C(N3C(C=CC=C3)=N2)=O)=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869367