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1,4,7-Tris[(2,2'-bipyridin-6-yl)methyl]-1,4,7-triazacyclononane
SpectraBase Compound ID GtRppXY9DFn
InChI InChI=1S/C39H39N9/c1-4-19-40-34(13-1)37-16-7-10-31(43-37)28-46-22-24-47(29-32-11-8-17-38(44-32)35-14-2-5-20-41-35)26-27-48(25-23-46)30-33-12-9-18-39(45-33)36-15-3-6-21-42-36/h1-21H,22-30H2
InChIKey UHUWTVKKBYUKOW-UHFFFAOYSA-N
Mol Weight 633.8 g/mol
Molecular Formula C39H39N9
Exact Mass 633.332842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hw9QRirUIpr
Name 1,4,7-Tris[(2,2'-bipyridin-6-yl)methyl]-1,4,7-triazacyclononane
Comments Less than 3 mono-isotopic peaks
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Formula C39H39N9
InChI InChI=1S/C39H39N9/c1-4-19-40-34(13-1)37-16-7-10-31(43-37)28-46-22-24-47(29-32-11-8-17-38(44-32)35-14-2-5-20-41-35)26-27-48(25-23-46)30-33-12-9-18-39(45-33)36-15-3-6-21-42-36/h1-21H,22-30H2
InChIKey UHUWTVKKBYUKOW-UHFFFAOYSA-N
Molecular Weight 633.804 g/mol
SMILES c1(nc(ccc1)CN1CCN(Cc2nc(-c3ncccc3)ccc2)CCN(CC1)Cc1nc(-c2ncccc2)ccc1)-c1ncccc1
SPLASH splash10-001i-0000009000-06713895bb31bcd2d78c
Source of Spectrum H-73-1158-5
Synonyms 1,4,7-tris({[6-(pyridin-2-yl)pyridin-2-yl]methyl})-1,4,7-triazonane 1,4,7-tris[[6-(2-pyridinyl)-2-pyridinyl]methyl]-1,4,7-triazonane 1,4,7-tris[(6-pyridin-2-ylpyridin-2-yl)methyl]-1,4,7-triazonane
Wiley ID 1412255