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3-(2-Chloro-2-phenylethyl)-3,4-dihydroquinazolin-4-one

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

3-(2-Chloro-2-phenylethyl)-3,4-dihydroquinazolin-4-one
SpectraBase Compound ID 41ZBfrGVv8I
InChI InChI=1S/C16H13ClN2O/c17-14(12-6-2-1-3-7-12)10-19-11-18-15-9-5-4-8-13(15)16(19)20/h1-9,11,14H,10H2
InChIKey CLMJWDIDARFSPC-UHFFFAOYSA-N
Mol Weight 284.75 g/mol
Molecular Formula C16H13ClN2O
Exact Mass 284.071641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AAkl0MV6zu0
Name 3-(2-Chloro-2-phenylethyl)-3,4-dihydroquinazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.071640746 u
Formula C16H13ClN2O
InChI InChI=1S/C16H13ClN2O/c17-14(12-6-2-1-3-7-12)10-19-11-18-15-9-5-4-8-13(15)16(19)20/h1-9,11,14H,10H2
InChIKey CLMJWDIDARFSPC-UHFFFAOYSA-N
Molecular Weight 284.746 g/mol
SMILES C=1N(C(C=2C(N1)=CC=CC2)=O)CC(Cl)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920097