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N,N,N',N'-Tetraoctyl-1,-phenylenedioxydiacetamide

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N,N,N',N'-Tetraoctyl-1,-phenylenedioxydiacetamide
SpectraBase Compound ID 7pWqqoJ4GPM
InChI InChI=1S/C42H76N2O4/c1-5-9-13-17-21-27-33-43(34-28-22-18-14-10-6-2)41(45)37-47-39-31-25-26-32-40(39)48-38-42(46)44(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4/h25-26,31-32H,5-24,27-30,33-38H2,1-4H3
InChIKey UKTAPVOHSJYXDJ-UHFFFAOYSA-N
Mol Weight 673.1 g/mol
Molecular Formula C42H76N2O4
Exact Mass 672.580509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YgH5hQgAwC
Name N,N,N',N'-Tetraoctyl-1,-phenylenedioxydiacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 672.580508931 u
Formula C42H76N2O4
InChI InChI=1S/C42H76N2O4/c1-5-9-13-17-21-27-33-43(34-28-22-18-14-10-6-2)41(45)37-47-39-31-25-26-32-40(39)48-38-42(46)44(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4/h25-26,31-32H,5-24,27-30,33-38H2,1-4H3
InChIKey UKTAPVOHSJYXDJ-UHFFFAOYSA-N
SMILES C(N(CCCCCCCC)CCCCCCCC)(COC1=C(OCC(N(CCCCCCCC)CCCCCCCC)=O)C=CC=C1)=O