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4-(4-Bromophenyl)-3,6-dimethyl-N-phenyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carboxamide
SpectraBase Compound ID 8MyJ8UiD7Kz
InChI InChI=1S/C21H18BrN3O2/c1-12-17(20(26)24-16-6-4-3-5-7-16)19(14-8-10-15(22)11-9-14)18-13(2)25-27-21(18)23-12/h3-11,19,23H,1-2H3,(H,24,26)
InChIKey YRISYCKCMRSYOB-UHFFFAOYSA-N
Mol Weight 424.3 g/mol
Molecular Formula C21H18BrN3O2
Exact Mass 423.05824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMzEyycoT3i
Name 4-(4-Bromophenyl)-3,6-dimethyl-N-phenyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carboxamide
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Formula C21H18BrN3O2
InChI InChI=1S/C21H18BrN3O2/c1-12-17(20(26)24-16-6-4-3-5-7-16)19(14-8-10-15(22)11-9-14)18-13(2)25-27-21(18)23-12/h3-11,19,23H,1-2H3,(H,24,26)
InChIKey YRISYCKCMRSYOB-UHFFFAOYSA-N
Molecular Weight 424.298 g/mol
SMILES N1C(=C(C(Nc2ccccc2)=O)C(c2c(noc12)C)c1ccc(cc1)Br)C
SPLASH splash10-0006-9100200000-fb978367d14d70c2483d
Source of Spectrum HC-50-1173-5m
Wiley ID 1739918