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4-(4-Chlorobenzyl)-6-phenylpyridazin-3(2H)-one

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

4-(4-Chlorobenzyl)-6-phenylpyridazin-3(2H)-one
SpectraBase Compound ID 2iHY43C1QZJ
InChI InChI=1S/C17H13ClN2O/c18-15-8-6-12(7-9-15)10-14-11-16(19-20-17(14)21)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21)
InChIKey AAYNFNLOALFBEQ-UHFFFAOYSA-N
Mol Weight 296.76 g/mol
Molecular Formula C17H13ClN2O
Exact Mass 296.071641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4BZhtboAPcO
Name 4-(4-Chlorobenzyl)-6-phenylpyridazin-3(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.071640746 u
Formula C17H13ClN2O
InChI InChI=1S/C17H13ClN2O/c18-15-8-6-12(7-9-15)10-14-11-16(19-20-17(14)21)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21)
InChIKey AAYNFNLOALFBEQ-UHFFFAOYSA-N
Molecular Weight 296.757 g/mol
SMILES C1(NN=C(C=C1CC1=CC=C(C=C1)Cl)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9331