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6-(6-Bromo-2-oxo-2H-chromen-3-yl)-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID KBCHuvoTLKA
InChI InChI=1S/C21H10BrClN2O3/c22-13-3-6-19-12(7-13)8-16(21(27)28-19)18-9-15(17(10-24)20(26)25-18)11-1-4-14(23)5-2-11/h1-9H,(H,25,26)
InChIKey BVWHESRCQSQLSK-UHFFFAOYSA-N
Mol Weight 453.68 g/mol
Molecular Formula C21H10BrClN2O3
Exact Mass 451.956333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3txWL8QLnH4
Name 6-(6-Bromo-2-oxo-2H-chromen-3-yl)-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Appearance Yellow powder
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Formula C21H10BrClN2O3
InChI InChI=1S/C21H10BrClN2O3/c22-13-3-6-19-12(7-13)8-16(21(27)28-19)18-9-15(17(10-24)20(26)25-18)11-1-4-14(23)5-2-11/h1-9H,(H,25,26)
InChIKey BVWHESRCQSQLSK-UHFFFAOYSA-N
Instrument Name Schimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3179
Molecular Weight 453.679 g/mol
SMILES N1C(=CC(=C(C1=O)C#N)c1ccc(cc1)Cl)C=1C(Oc2c(cc(Br)cc2)C1)=O
SPLASH splash10-004l-9623100000-302b1fbd8b1052e42172
Source of Spectrum Y-55-SM26-43
Wiley ID 1880802