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3-Phenyl-1-acetyl-4(1H)-quinolone

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

3-Phenyl-1-acetyl-4(1H)-quinolone
SpectraBase Compound ID 92OhEkDInUA
InChI InChI=1S/C17H13NO2/c1-12(19)18-11-15(13-7-3-2-4-8-13)17(20)14-9-5-6-10-16(14)18/h2-11H,1H3
InChIKey CDCYYBMTMWKAFJ-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C17H13NO2
Exact Mass 263.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Y9MyXArTdN
Name 3-Phenyl-1-acetyl-4(1H)-quinolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.094628661 u
Formula C17H13NO2
InChI InChI=1S/C17H13NO2/c1-12(19)18-11-15(13-7-3-2-4-8-13)17(20)14-9-5-6-10-16(14)18/h2-11H,1H3
InChIKey CDCYYBMTMWKAFJ-UHFFFAOYSA-N
Molecular Weight 263.296 g/mol
SMILES C=1N(C=2C=CC=CC2C(C1C=1C=CC=CC1)=O)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906761