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5-Butyl-3-phenyl-4-(phenylselenyl)isoxazole
SpectraBase Compound ID Hz8YPT7fd78
InChI InChI=1S/C19H19NOSe/c1-2-3-14-17-19(22-16-12-8-5-9-13-16)18(20-21-17)15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3
InChIKey AVDUPFSJFDXIBL-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C19H19NOSe
Exact Mass 357.063186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID THtbaKCcb8
Name 5-Butyl-3-phenyl-4-(phenylselenyl)isoxazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.063186235 u
Formula C19H19NOSe
InChI InChI=1S/C19H19NOSe/c1-2-3-14-17-19(22-16-12-8-5-9-13-16)18(20-21-17)15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3
InChIKey AVDUPFSJFDXIBL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302770g
Molecular Weight 356.339 g/mol
Quality 147
Reported Formula C19H19NOSe
SMILES C=1(ON=C(C1[Se]C1=CC=CC=C1)C1=CC=CC=C1)CCCC
SPLASH splash10-066r-7901000000-cab5205b0f3da7a5b3c7
Source of Spectrum JOC-78-1636-2o (DOI: 10.1021/jo302770g)
Wiley ID 1912243