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5-(2-Methoxyphenyl)-3-phenyl-4-(phenylselenyl)isoxazole
SpectraBase Compound ID 69gfGK5MAQw
InChI InChI=1S/C22H17NO2Se/c1-24-19-15-9-8-14-18(19)21-22(26-17-12-6-3-7-13-17)20(23-25-21)16-10-4-2-5-11-16/h2-15H,1H3
InChIKey OMEWSYXBBNGJEO-UHFFFAOYSA-N
Mol Weight 406.35 g/mol
Molecular Formula C22H17NO2Se
Exact Mass 407.042451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbJ73ES7Mbu
Name 5-(2-Methoxyphenyl)-3-phenyl-4-(phenylselenyl)isoxazole
Appearance Pale yellow solid
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Exact Mass 407.042450789 u
Formula C22H17NO2Se
InChI InChI=1S/C22H17NO2Se/c1-24-19-15-9-8-14-18(19)21-22(26-17-12-6-3-7-13-17)20(23-25-21)16-10-4-2-5-11-16/h2-15H,1H3
InChIKey OMEWSYXBBNGJEO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 406.355 g/mol
Quality 126
Reported Formula C22H17NO2Se
SMILES C=1(ON=C(C1[Se]C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C=CC=C1)OC
SPLASH splash10-000i-4900000000-998fb047b208b8401a59
Source of Spectrum JOC-78-1636-2s (DOI: 10.1021/jo302770g)
Wiley ID 1912247