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N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-12-crown-4)

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N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-12-crown-4)
SpectraBase Compound ID 1idyGpuRI6i
InChI InChI=1S/C31H62N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-31(29-32-13-17-34-21-25-38-26-22-35-18-14-32)30-33-15-19-36-23-27-39-28-24-37-20-16-33/h31H,2-30H2,1H3
InChIKey JFBHCXNQRHISJW-UHFFFAOYSA-N
Mol Weight 558.8 g/mol
Molecular Formula C31H62N2O6
Exact Mass 558.460788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JonQhhspGAk
Name N,N'-(2-Dodecylpropane-1,3-diyl)bis(monoaza-12-crown-4)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.460787718 u
Formula C31H62N2O6
InChI InChI=1S/C31H62N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-31(29-32-13-17-34-21-25-38-26-22-35-18-14-32)30-33-15-19-36-23-27-39-28-24-37-20-16-33/h31H,2-30H2,1H3
InChIKey JFBHCXNQRHISJW-UHFFFAOYSA-N
Molecular Weight 558.845 g/mol
SMILES C(N1CCOCCOCCOCC1)C(CN1CCOCCOCCOCC1)CCCCCCCCCCCC