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2,3,5-Trichloro-4,6-bis(4-ethylphenyl)pyridine
SpectraBase Compound ID 9hm4m57OA0C
InChI InChI=1S/C21H18Cl3N/c1-3-13-5-9-15(10-6-13)17-18(22)20(25-21(24)19(17)23)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChIKey VIMCXAXTOSUNHO-UHFFFAOYSA-N
Mol Weight 390.74 g/mol
Molecular Formula C21H18Cl3N
Exact Mass 389.050483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xvu8QQVvXI
Name 2,3,5-Trichloro-4,6-bis(4-ethylphenyl)pyridine
Appearance White solid
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Exact Mass 389.050482684 u
Formula C21H18Cl3N
InChI InChI=1S/C21H18Cl3N/c1-3-13-5-9-15(10-6-13)17-18(22)20(25-21(24)19(17)23)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChIKey VIMCXAXTOSUNHO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701718
Molecular Weight 390.741 g/mol
Quality 301
Reported Formula C21H18NCl3
SMILES C=1(Cl)C(=C(C(=NC1C1=CC=C(CC)C=C1)Cl)Cl)C1=CC=C(C=C1)CC
SPLASH splash10-000f-0209000000-d2c8ee6212845d02dcf8
Source of Spectrum K1-2018-998-5f (DOI: 10.1002/ejoc.201701718)
Wiley ID 1891828