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1,4,7-Tris[(2,2'-bipyridin-6-yl)methyl]-1,4,7-triazacyclononane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiAfufJMUvU
Name 1,4,7-Tris[(2,2'-bipyridin-6-yl)methyl]-1,4,7-triazacyclononane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 633.332842292 u
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 C=1(N=C(C=CC1)CN1CCN(CC=2N=C(C=3N=CC=CC3)C=CC2)CCN(CC1)CC=1N=C(C=2N=CC=CC2)C=CC1)C1=NC=CC=C1