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4-(4-Bromophenyl)-N-(2-methoxyphenyl)-3,6-dimethyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carboxamide
SpectraBase Compound ID LOY3650cGWu
InChI InChI=1S/C22H20BrN3O3/c1-12-18(21(27)25-16-6-4-5-7-17(16)28-3)20(14-8-10-15(23)11-9-14)19-13(2)26-29-22(19)24-12/h4-11,20,24H,1-3H3,(H,25,27)
InChIKey IBFHCIAQLZZCPE-UHFFFAOYSA-N
Mol Weight 454.32 g/mol
Molecular Formula C22H20BrN3O3
Exact Mass 453.068805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSeyhtIRaa2
Name 4-(4-Bromophenyl)-N-(2-methoxyphenyl)-3,6-dimethyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carboxamide
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Formula C22H20BrN3O3
InChI InChI=1S/C22H20BrN3O3/c1-12-18(21(27)25-16-6-4-5-7-17(16)28-3)20(14-8-10-15(23)11-9-14)19-13(2)26-29-22(19)24-12/h4-11,20,24H,1-3H3,(H,25,27)
InChIKey IBFHCIAQLZZCPE-UHFFFAOYSA-N
Molecular Weight 454.324 g/mol
SMILES N1C(=C(C(Nc2c(OC)cccc2)=O)C(c2c(noc12)C)c1ccc(cc1)Br)C
SPLASH splash10-0006-9100100000-68d81360d007616adebe
Source of Spectrum HC-50-1174-5s
Wiley ID 1739914