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3-(3-Bromo-4-methylphenyl)-4-chloro-5-phenylisoxazole
SpectraBase Compound ID 2FZ0QAGXgUb
InChI InChI=1S/C16H11BrClNO/c1-10-7-8-12(9-13(10)17)15-14(18)16(20-19-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey IGPXROHXJJUGHG-UHFFFAOYSA-N
Mol Weight 348.63 g/mol
Molecular Formula C16H11BrClNO
Exact Mass 346.971255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y9wjOCmLv1
Name 3-(3-Bromo-4-methylphenyl)-4-chloro-5-phenylisoxazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11BrClNO
InChI InChI=1S/C16H11BrClNO/c1-10-7-8-12(9-13(10)17)15-14(18)16(20-19-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey IGPXROHXJJUGHG-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02106
Molecular Weight 348.627 g/mol
SMILES c1(Cl)c(noc1-c1ccccc1)-c1cc(c(cc1)C)Br
SPLASH splash10-0a4i-4943000000-58dd4c67213dc02e74d1
Source of Spectrum JOC-86-328-5c
Wiley ID 1867692