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6-(4-bromophenyl)-4-(3,4-dimethylphenyl)-4,5-dihydropyridazin-3(2H)-one

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

6-(4-bromophenyl)-4-(3,4-dimethylphenyl)-4,5-dihydropyridazin-3(2H)-one
SpectraBase Compound ID 50INKkh04bM
InChI InChI=1S/C18H17BrN2O/c1-11-3-4-14(9-12(11)2)16-10-17(20-21-18(16)22)13-5-7-15(19)8-6-13/h3-9,16H,10H2,1-2H3,(H,21,22)
InChIKey NDSQLZAPGYTQDE-UHFFFAOYSA-N
Mol Weight 357.25 g/mol
Molecular Formula C18H17BrN2O
Exact Mass 356.052426 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LdAsp7gQRKL
Name 6-(4-Bromophenyl)-4-(3,4-dimethylphenyl)-4,5-dihydropyridazin-3(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.052426174 u
Formula C18H17BrN2O
InChI InChI=1S/C18H17BrN2O/c1-11-3-4-14(9-12(11)2)16-10-17(20-21-18(16)22)13-5-7-15(19)8-6-13/h3-9,16H,10H2,1-2H3,(H,21,22)
InChIKey NDSQLZAPGYTQDE-UHFFFAOYSA-N
Molecular Weight 357.251 g/mol
SMILES C1(CC(=NNC1=O)C1=CC=C(C=C1)Br)C1=CC(=C(C=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898435