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cis,cis-N,N'-Methylenebis(11-eicosenamide)

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cis,cis-N,N'-Methylenebis(11-eicosenamide)
SpectraBase Compound ID H3tKXiAM3ru
InChI InChI=1S/C41H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(44)42-39-43-41(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3,(H,42,44)(H,43,45)/b19-17-,20-18-
InChIKey YQXGHRROVQBMKW-CLFAGFIQSA-N
Mol Weight 631.1 g/mol
Molecular Formula C41H78N2O2
Exact Mass 630.60633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmodZEXZiuc
Name cis,cis-N,N'-Methylenebis(11-eicosenamide)
Comments Computed using HOSE algorithm
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Exact Mass 630.606329758 u
Formula C41H78N2O2
InChI InChI=1S/C41H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(44)42-39-43-41(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3,(H,42,44)(H,43,45)/b19-17-,20-18-
InChIKey YQXGHRROVQBMKW-CLFAGFIQSA-N
Molecular Weight 631.087 g/mol
SMILES C(NCNC(CCCCCCCCC\C=C/CCCCCCCC)=O)(CCCCCCCCC\C=C/CCCCCCCC)=O