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5-(4-Chlorophenyl)-3-phenyl-4-(phenylselenyl)isoxazole
SpectraBase Compound ID 5yeSPSzQDGe
InChI InChI=1S/C21H14ClNOSe/c22-17-13-11-16(12-14-17)20-21(25-18-9-5-2-6-10-18)19(23-24-20)15-7-3-1-4-8-15/h1-14H
InChIKey BJXBDUKHYJNWGX-UHFFFAOYSA-N
Mol Weight 410.77 g/mol
Molecular Formula C21H14ClNOSe
Exact Mass 410.992914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExqVfFpkP86
Name 5-(4-Chlorophenyl)-3-phenyl-4-(phenylselenyl)isoxazole
Appearance Pale yellow solid
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Exact Mass 410.992913774 u
Formula C21H14ClNOSe
InChI InChI=1S/C21H14ClNOSe/c22-17-13-11-16(12-14-17)20-21(25-18-9-5-2-6-10-18)19(23-24-20)15-7-3-1-4-8-15/h1-14H
InChIKey BJXBDUKHYJNWGX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 410.774 g/mol
Quality 152
SMILES C=1(ON=C(C1[Se]C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)Cl
SPLASH splash10-0a6r-4911300000-ea0a37354f896f096a8b
Source of Spectrum JOC-78-1635-2m (DOI: 10.1021/jo302770g)
Wiley ID 1912241