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3-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methylisoxazole
SpectraBase Compound ID JX7ZNrZhTuy
InChI InChI=1S/C16H11ClFNO/c1-10-15(12-7-3-5-9-14(12)18)16(19-20-10)11-6-2-4-8-13(11)17/h2-9H,1H3
InChIKey LYXSPLYKXWPSRJ-UHFFFAOYSA-N
Mol Weight 287.72 g/mol
Molecular Formula C16H11ClFNO
Exact Mass 287.05132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCJYjsuTiTw
Name 3-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-methylisoxazole
Appearance Colorless semisolid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClFNO
InChI InChI=1S/C16H11ClFNO/c1-10-15(12-7-3-5-9-14(12)18)16(19-20-10)11-6-2-4-8-13(11)17/h2-9H,1H3
InChIKey LYXSPLYKXWPSRJ-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1021/jm301905a
Molecular Weight 287.721 g/mol
SMILES c1(Cl)c(cccc1)-c1noc(c1-c1c(cccc1)F)C
SPLASH splash10-000b-0190000000-9942764239a67edd62a7
Source of Spectrum AF-56-4291-3c
Wiley ID 1854520