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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXp8FfIT0mS
Name N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-12-crown-4)
Alternate Name(s) 10-[2-(1,4,7-trioxa-10-azacyclododecan-10-ylmethyl)tetradecyl]-1,4,7-trioxa-10-azacyclododecane N,N'-(2-dodecylpropane-1,3-diyl)bis(1-aza-4,7,10-trioxacyclododecane)
CAS Registry Number 102069-55-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SPLASH splash10-03di-0090000000-69e900b0c0248ed6f36e
Source of Spectrum J-51-4977-1
Wiley ID 1406576