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4-Bromo-2,3,5-trichloro-6-[4-(trifluoromethyl)phenyl]pyridine
SpectraBase Compound ID BAUTMfXmm5s
InChI InChI=1S/C12H4BrCl3F3N/c13-7-8(14)10(20-11(16)9(7)15)5-1-3-6(4-2-5)12(17,18)19/h1-4H
InChIKey AEDOENAWSXXCPU-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C12H4BrCl3F3N
Exact Mass 402.85448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AZVuyc1SZN
Name 4-Bromo-2,3,5-trichloro-6-[4-(trifluoromethyl)phenyl]pyridine
Appearance White solid
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Exact Mass 402.854479722 u
Formula C12H4BrCl3F3N
InChI InChI=1S/C12H4BrCl3F3N/c13-7-8(14)10(20-11(16)9(7)15)5-1-3-6(4-2-5)12(17,18)19/h1-4H
InChIKey AEDOENAWSXXCPU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701718
Molecular Weight 405.429 g/mol
Quality 786
Reported Formula C12H4NBrCl3F3
SMILES C1(Br)=C(C(=NC(=C1Cl)C1=CC=C(C=C1)C(F)(F)F)Cl)Cl
SPLASH splash10-0ab9-1386900000-7bfb6e0fac0f1b59b3d3
Source of Spectrum K1-2018-997-4h (DOI: 10.1002/ejoc.201701718)
Wiley ID 1891819