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5-(4-Methoxyphenyl)-3-phenyl-4-(phenylselenyl)isoxazole
SpectraBase Compound ID 8vjYY70D3TY
InChI InChI=1S/C22H17NO2Se/c1-24-18-14-12-17(13-15-18)21-22(26-19-10-6-3-7-11-19)20(23-25-21)16-8-4-2-5-9-16/h2-15H,1H3
InChIKey LRJYDNGKRBSCAI-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 9cNbjffGPAn
Name 5-(4-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/c1-24-18-14-12-17(13-15-18)21-22(26-19-10-6-3-7-11-19)20(23-25-21)16-8-4-2-5-9-16/h2-15H,1H3
InChIKey LRJYDNGKRBSCAI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 406.355 g/mol
Quality 117
Reported Formula C22H17NO2Se
SMILES C=1(ON=C(C1[Se]C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)OC
SPLASH splash10-052r-2960000000-ec173b2634915385c2a2
Source of Spectrum JOC-78-1635-2l (DOI: 10.1021/jo302770g)
Wiley ID 1912240