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N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-18-crown-6)
SpectraBase Compound ID 5KI8s8LNUQD
InChI InChI=1S/C39H78N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-39(37-40-13-17-42-21-25-46-29-33-50-34-30-47-26-22-43-18-14-40)38-41-15-19-44-23-27-48-31-35-51-36-32-49-28-24-45-20-16-41/h39H,2-38H2,1H3
InChIKey OONXEPODVDZMTE-UHFFFAOYSA-N
Mol Weight 735.1 g/mol
Molecular Formula C39H78N2O10
Exact Mass 734.565647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ8UJho3KWH
Name N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-18-crown-6)
Alternate Name(s) 16-[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-ylmethyl)tetradecyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane N,N'-(2-dodecylpropane-1,3-diyl)bis(1-aza-4,7,10,13,16-pentaoxacyclooctadecane)
CAS Registry Number 102069-57-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H78N2O10
InChI InChI=1S/C39H78N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-39(37-40-13-17-42-21-25-46-29-33-50-34-30-47-26-22-43-18-14-40)38-41-15-19-44-23-27-48-31-35-51-36-32-49-28-24-45-20-16-41/h39H,2-38H2,1H3
InChIKey OONXEPODVDZMTE-UHFFFAOYSA-N
Molecular Weight 735.057 g/mol
SMILES C(N1CCOCCOCCOCCOCCOCC1)C(CN1CCOCCOCCOCCOCCOCC1)CCCCCCCCCCCC
SPLASH splash10-0udi-0009000000-a935c814ff3abab066d4
Source of Spectrum J-51-4977-0
Wiley ID 1416002