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3-(4-(2-oxopropyl)phenyl)quinazolin-4(3H)-one

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

3-(4-(2-oxopropyl)phenyl)quinazolin-4(3H)-one
SpectraBase Compound ID Ad6ti1Ap5q
InChI InChI=1S/C17H14N2O2/c1-12(20)10-13-6-8-14(9-7-13)19-11-18-16-5-3-2-4-15(16)17(19)21/h2-9,11H,10H2,1H3
InChIKey FTRRDOXDMPEQHR-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C17H14N2O2
Exact Mass 278.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LFTGPCAqZWr
Name 3-(4-(2-Oxopropyl)phenyl)quinazolin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.105527697 u
Formula C17H14N2O2
InChI InChI=1S/C17H14N2O2/c1-12(20)10-13-6-8-14(9-7-13)19-11-18-16-5-3-2-4-15(16)17(19)21/h2-9,11H,10H2,1H3
InChIKey FTRRDOXDMPEQHR-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C(N(C1=CC=C(C=C1)CC(C)=O)C=N2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936782