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3-Acetyl-7-chloro-1H-quinolin-4-one

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

3-Acetyl-7-chloro-1H-quinolin-4-one
SpectraBase Compound ID DFyaWI4PS27
InChI InChI=1S/C11H8ClNO2/c1-6(14)9-5-13-10-4-7(12)2-3-8(10)11(9)15/h2-5H,1H3,(H,13,15)
InChIKey KVCSSLTZHSEKDS-UHFFFAOYSA-N
Mol Weight 221.64 g/mol
Molecular Formula C11H8ClNO2
Exact Mass 221.024356 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7PObJ7qeMrP
Name 3-Acetyl-7-chloro-1H-quinolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.024356200 u
Formula C11H8ClNO2
InChI InChI=1S/C11H8ClNO2/c1-6(14)9-5-13-10-4-7(12)2-3-8(10)11(9)15/h2-5H,1H3,(H,13,15)
InChIKey KVCSSLTZHSEKDS-UHFFFAOYSA-N
Molecular Weight 221.643 g/mol
SMILES C=1NC=2C=C(C=CC2C(C1C(=O)C)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97711