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3,5-Diphenyl-4-((p-tolyl)selenyl)isoxazole
SpectraBase Compound ID LQIzOyWvbuv
InChI InChI=1S/C22H17NOSe/c1-16-12-14-19(15-13-16)25-22-20(17-8-4-2-5-9-17)23-24-21(22)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey SYGXHHCJFIJMHJ-UHFFFAOYSA-N
Mol Weight 390.36 g/mol
Molecular Formula C22H17NOSe
Exact Mass 391.047536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HImCen4Xe6z
Name 3,5-Diphenyl-4-((p-tolyl)selenyl)isoxazole
Appearance White solid
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Exact Mass 391.047536170 u
Formula C22H17NOSe
InChI InChI=1S/C22H17NOSe/c1-16-12-14-19(15-13-16)25-22-20(17-8-4-2-5-9-17)23-24-21(22)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey SYGXHHCJFIJMHJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 390.356 g/mol
Quality 86
SMILES C=1(ON=C(C1[Se]C1=CC=C(C=C1)C)C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-014i-4900000000-fb8badc78612663fd5d1
Source of Spectrum JOC-78-1635-2e (DOI: 10.1021/jo302770g)
Wiley ID 1912233