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N,N'-(5-dodecyl-3,7-dioxanonane-1,9-diyl)bis(monoaza-15-crown-5)

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

N,N'-(5-dodecyl-3,7-dioxanonane-1,9-diyl)bis(monoaza-15-crown-5)
SpectraBase Compound ID 7ALThCLKmCr
InChI InChI=1S/C39H78N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-39(37-50-23-17-40-13-19-42-25-29-46-33-34-47-30-26-43-20-14-40)38-51-24-18-41-15-21-44-27-31-48-35-36-49-32-28-45-22-16-41/h39H,2-38H2,1H3
InChIKey ZTVXYQJVOJIOQL-UHFFFAOYSA-N
Mol Weight 735.1 g/mol
Molecular Formula C39H78N2O10
Exact Mass 734.565647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DUlv7fAXPV
Name N,N'-(5-Dodecyl-3,7-dioxanonane-1,9-diyl)bis(monoaza-15-crown-5)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 734.565646710 u
Formula C39H78N2O10
InChI InChI=1S/C39H78N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-39(37-50-23-17-40-13-19-42-25-29-46-33-34-47-30-26-43-20-14-40)38-51-24-18-41-15-21-44-27-31-48-35-36-49-32-28-45-22-16-41/h39H,2-38H2,1H3
InChIKey ZTVXYQJVOJIOQL-UHFFFAOYSA-N
Molecular Weight 735.057 g/mol
SMILES C(N1CCOCCOCCOCCOCC1)COCC(COCCN1CCOCCOCCOCCOCC1)CCCCCCCCCCCC