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2-bromanyl-4-[2-[4-[2-[4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]pyridin-2-yl]pyridin-4-yl]pyridin-2-yl]pyridin-4-yl]pyridine
SpectraBase Compound ID KpCH9vj7WM1
InChI InChI=1S/C30H22BrN5O2/c31-29-19-24(7-12-36-29)23-6-11-35-28(18-23)27-17-22(5-10-34-27)21-4-9-33-26(16-21)25-15-20(3-8-32-25)1-2-30-37-13-14-38-30/h1-12,15-19,30H,13-14H2/b2-1+
InChIKey YHTQIILWVVXXSJ-OWOJBTEDSA-N
Mol Weight 564.44 g/mol
Molecular Formula C30H22BrN5O2
Exact Mass 563.095688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSRrt4OzwBC
Name 2-bromanyl-4-[2-[4-[2-[4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]pyridin-2-yl]pyridin-4-yl]pyridin-2-yl]pyridin-4-yl]pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C30H22BrN5O2
InChI InChI=1S/C30H22BrN5O2/c31-29-19-24(7-12-36-29)23-6-11-35-28(18-23)27-17-22(5-10-34-27)21-4-9-33-26(16-21)25-15-20(3-8-32-25)1-2-30-37-13-14-38-30/h1-12,15-19,30H,13-14H2/b2-1+
InChIKey YHTQIILWVVXXSJ-OWOJBTEDSA-N
Molecular Weight 564.443 g/mol
SMILES c1(-c2cc(-c3cc(-c4nccc(\C=C\C5OCCO5)c4)ncc3)ccn2)cc(-c2cc(Br)ncc2)ccn1
SPLASH splash10-02mi-0000090000-6b07d3adcf15f1a55ea4
Source of Spectrum J-62-2780-27
Synonyms 2-bromo-4-[2-[4-[2-[4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine 2-bromo-4-[2-[4-[2-[4-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]pyridin-2-yl]pyridin-4-yl]pyridin-2-yl]pyridin-4-yl]pyridine 2-bromo-4-[2-[4-[2-[4-[(E)-2-(1,3-dioxolan-2-yl)vinyl]-2-pyridyl]-4-pyridyl]-2-pyridyl]-4-pyridyl]pyridine
Wiley ID 1407036