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5-(4-Bromophenyl)-4-fluoro-3-methyl-1-phenyl-1H-pyrazole
SpectraBase Compound ID AhFAYtWPeIJ
InChI InChI=1S/C16H12BrFN2/c1-11-15(18)16(12-7-9-13(17)10-8-12)20(19-11)14-5-3-2-4-6-14/h2-10H,1H3
InChIKey OCMQBKJYMZFNTN-UHFFFAOYSA-N
Mol Weight 331.19 g/mol
Molecular Formula C16H12BrFN2
Exact Mass 330.01679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BgrwiN4rI
Name 5-(4-Bromophenyl)-4-fluoro-3-methyl-1-phenyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrFN2
InChI InChI=1S/C16H12BrFN2/c1-11-15(18)16(12-7-9-13(17)10-8-12)20(19-11)14-5-3-2-4-6-14/h2-10H,1H3
InChIKey OCMQBKJYMZFNTN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201555z
Molecular Weight 331.188 g/mol
SMILES c1(c(-c2ccc(cc2)Br)[n](-c2ccccc2)nc1C)F
SPLASH splash10-001i-1009000000-e0a1ffabdfd803e107c3
Source of Spectrum A1-13-4220/SMS10-2j
Wiley ID 1753547