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5-(4-bromophenyl)-4-methyl-3-phenyl-1H-pyridazin-6-one
SpectraBase Compound ID LKtbR4ZQ3hb
InChI InChI=1S/C17H13BrN2O/c1-11-15(12-7-9-14(18)10-8-12)17(21)20-19-16(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21)
InChIKey KFRORPDMTCOZOT-UHFFFAOYSA-N
Mol Weight 341.21 g/mol
Molecular Formula C17H13BrN2O
Exact Mass 340.021126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t0Hjj8hH6
Name 5-(4-bromophenyl)-4-methyl-3-phenyl-1H-pyridazin-6-one
Appearance White solid
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Exact Mass 340.021126046 u
Formula C17H13BrN2O
InChI InChI=1S/C17H13BrN2O/c1-11-15(12-7-9-14(18)10-8-12)17(21)20-19-16(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21)
InChIKey KFRORPDMTCOZOT-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611625
Molecular Weight 341.208 g/mol
Quality 223
Reported Formula C17H13N2O(79)Br
SMILES N1C(C(=C(C(=N1)C1=CC=CC=C1)C)C=1C=CC(=CC1)Br)=O
SPLASH splash10-000f-0149000000-2949d25cb419162bbd01
Source of Spectrum ACI-56-SM26-11 (DOI: 10.1002/anie.201611625)
Wiley ID 1892888