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3,5-Dichloro-2-(4-methoxyphenyl)-4-(4-cyanophenyl)-6-p-tolylpyridine
SpectraBase Compound ID 29zlylV0vnb
InChI InChI=1S/C26H18Cl2N2O/c1-16-3-7-19(8-4-16)25-23(27)22(18-9-5-17(15-29)6-10-18)24(28)26(30-25)20-11-13-21(31-2)14-12-20/h3-14H,1-2H3
InChIKey ATFQDFALDNXGIL-UHFFFAOYSA-N
Mol Weight 445.35 g/mol
Molecular Formula C26H18Cl2N2O
Exact Mass 444.079619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmPP4NgpC8H
Name 3,5-Dichloro-2-(4-methoxyphenyl)-4-(4-cyanophenyl)-6-p-tolylpyridine
Appearance White solid
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Exact Mass 444.079618607 u
Formula C26H18Cl2N2O
InChI InChI=1S/C26H18Cl2N2O/c1-16-3-7-19(8-4-16)25-23(27)22(18-9-5-17(15-29)6-10-18)24(28)26(30-25)20-11-13-21(31-2)14-12-20/h3-14H,1-2H3
InChIKey ATFQDFALDNXGIL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701718
Molecular Weight 445.349 g/mol
Reported Formula C26H18ON2Cl2
SMILES C=1(Cl)C(=C(C(=NC1C1=CC=C(C=C1)C)C1=CC=C(C=C1)OC)Cl)C1=CC=C(C=C1)C#N
SPLASH splash10-0005-0001900000-97358b70f7b369b38008
Source of Spectrum K1-2018-1000-10a (DOI: 10.1002/ejoc.201701718)
Wiley ID 1891803