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

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

4-(3-Fluorobenzyl)-6-phenylpyridazin-3(2H)-one
SpectraBase Compound ID 9yI1c7QmjZE
InChI InChI=1S/C17H13FN2O/c18-15-8-4-5-12(10-15)9-14-11-16(19-20-17(14)21)13-6-2-1-3-7-13/h1-8,10-11H,9H2,(H,20,21)
InChIKey QTQWYYDEMUSQRR-UHFFFAOYSA-N
Mol Weight 280.3 g/mol
Molecular Formula C17H13FN2O
Exact Mass 280.101191 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ETfVBSxQSXF
Name 4-(3-Fluorobenzyl)-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 280.101191209 u
Formula C17H13FN2O
InChI InChI=1S/C17H13FN2O/c18-15-8-4-5-12(10-15)9-14-11-16(19-20-17(14)21)13-6-2-1-3-7-13/h1-8,10-11H,9H2,(H,20,21)
InChIKey QTQWYYDEMUSQRR-UHFFFAOYSA-N
Molecular Weight 280.302 g/mol
SMILES C1(NN=C(C=C1CC1=CC(F)=CC=C1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927521