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3,5-Diphenyl-4-((3-trifluoromethyl)phenylselenyl)isoxazole
SpectraBase Compound ID FExoiSxCjMR
InChI InChI=1S/C22H14F3NOSe/c23-22(24,25)17-12-7-13-18(14-17)28-21-19(15-8-3-1-4-9-15)26-27-20(21)16-10-5-2-6-11-16/h1-14H
InChIKey JYBRYUYAQZORQE-UHFFFAOYSA-N
Mol Weight 444.33 g/mol
Molecular Formula C22H14F3NOSe
Exact Mass 445.019271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZTGy0FM0TK
Name 3,5-Diphenyl-4-((3-trifluoromethyl)phenylselenyl)isoxazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.019270563 u
Formula C22H14F3NOSe
InChI InChI=1S/C22H14F3NOSe/c23-22(24,25)17-12-7-13-18(14-17)28-21-19(15-8-3-1-4-9-15)26-27-20(21)16-10-5-2-6-11-16/h1-14H
InChIKey JYBRYUYAQZORQE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 444.327 g/mol
Quality 96
Reported Formula C22H14F3NOSe
SMILES C=1(ON=C(C1[Se]C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-0a4i-4930000000-b5427a21bc567411f45f
Source of Spectrum JOC-78-1635-2d (DOI: 10.1021/jo302770g)
Wiley ID 1912232