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3-(2-Chlorophenyl)-5-phenyl-4-(phenylselenyl)isoxazole
SpectraBase Compound ID HsQxHHE3QnJ
InChI InChI=1S/C21H14ClNOSe/c22-18-14-8-7-13-17(18)19-21(25-16-11-5-2-6-12-16)20(24-23-19)15-9-3-1-4-10-15/h1-14H
InChIKey IJRAEHIHZWNMJM-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 BC2q5bawKwe
Name 3-(2-Chlorophenyl)-5-phenyl-4-(phenylselenyl)isoxazole
Appearance Pale yellow solid
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Exact Mass 410.992913774 u
Formula C21H14ClNOSe
InChI InChI=1S/C21H14ClNOSe/c22-18-14-8-7-13-17(18)19-21(25-16-11-5-2-6-12-16)20(24-23-19)15-9-3-1-4-10-15/h1-14H
InChIKey IJRAEHIHZWNMJM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 410.774 g/mol
Quality 119
SMILES C=1(ON=C(C1[Se]C1=CC=CC=C1)C1=CC=CC=C1Cl)C1=CC=CC=C1
SPLASH splash10-0a4i-5920000000-6b90940b24f4b0c0e54e
Source of Spectrum JOC-78-1636-2p (DOI: 10.1021/jo302770g)
Wiley ID 1912244