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4-Bromo-4'-(octahydro-1,4,7,10,13-(benzo)pentaoxacyclopentadecin-15-ylethynyl)-2,2'-bipyridine
SpectraBase Compound ID KFGNS3Go9gF
InChI InChI=1S/C26H25BrN2O5/c27-22-6-8-29-24(19-22)23-17-21(5-7-28-23)2-1-20-3-4-25-26(18-20)34-16-14-32-12-10-30-9-11-31-13-15-33-25/h3-8,17-19H,9-16H2
InChIKey POANTWXKBWEYMK-UHFFFAOYSA-N
Mol Weight 525.4 g/mol
Molecular Formula C26H25BrN2O5
Exact Mass 524.094685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Buw6JcwznZL
Name 4-Bromo-4'-(octahydro-1,4,7,10,13-(benzo)pentaoxacyclopentadecin-15-ylethynyl)-2,2'-bipyridine
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Formula C26H25BrN2O5
InChI InChI=1S/C26H25BrN2O5/c27-22-6-8-29-24(19-22)23-17-21(5-7-28-23)2-1-20-3-4-25-26(18-20)34-16-14-32-12-10-30-9-11-31-13-15-33-25/h3-8,17-19H,9-16H2
InChIKey POANTWXKBWEYMK-UHFFFAOYSA-N
Molecular Weight 525.399 g/mol
SMILES C(#Cc1cc(-c2cc(Br)ccn2)ncc1)c1cc2OCCOCCOCCOCCOc2cc1
SPLASH splash10-0a4j-9321000000-3fc0189936ad0c09346e
Source of Spectrum KA-0-2629-0
Synonyms 4-[2-hydroxy-2-(2,3,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecan-15-yl)ethyl]-4'-methyl-2,2'-bipyridine
Wiley ID 1402487