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3-phenyl-4-(2-phenylethynyl)-1H-pyridazin-6-one
SpectraBase Compound ID 6YvfSk2B4tu
InChI InChI=1S/C18H12N2O/c21-17-13-16(12-11-14-7-3-1-4-8-14)18(20-19-17)15-9-5-2-6-10-15/h1-10,13H,(H,19,21)
InChIKey KDDLDDLOSYOXNZ-UHFFFAOYSA-N
Mol Weight 272.31 g/mol
Molecular Formula C18H12N2O
Exact Mass 272.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXepeOQU1WE
Name 3-phenyl-4-(2-phenylethynyl)-1H-pyridazin-6-one
Alternate Name(s) 5-(2-Phenylethynyl)-6-phenyl-3(2H)-pyridazinone
Comments Less than 3 mono-isotopic peaks
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Formula C18H12N2O
InChI InChI=1S/C18H12N2O/c21-17-13-16(12-11-14-7-3-1-4-8-14)18(20-19-17)15-9-5-2-6-10-15/h1-10,13H,(H,19,21)
InChIKey KDDLDDLOSYOXNZ-UHFFFAOYSA-N
Molecular Weight 272.307 g/mol
SMILES N1N=C(C(=CC1=O)C#Cc1ccccc1)c1ccccc1
SPLASH splash10-00di-0090000000-3d4be7591a558e0dd9f2
Source of Spectrum KC-61-4789-2
Wiley ID 1629172