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4-OCTADECYL-10-(4'-METHYLBENZENESULFONYL)-4,10-DIAZA-1,7-DIOXACYCLODECANE

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4-OCTADECYL-10-(4'-METHYLBENZENESULFONYL)-4,10-DIAZA-1,7-DIOXACYCLODECANE
SpectraBase Compound ID 5i5DnyyBgu6
InChI InChI=1S/C33H60N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-24-28-38-30-26-35(27-31-39-29-25-34)40(36,37)33-21-19-32(2)20-22-33/h19-22H,3-18,23-31H2,1-2H3
InChIKey HQIXVRJEEPLMAL-UHFFFAOYSA-N
Mol Weight 580.9 g/mol
Molecular Formula C33H60N2O4S
Exact Mass 580.42738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAjquxJAEYa
Name 4-OCTADECYL-10-(4'-METHYLBENZENESULFONYL)-4,10-DIAZA-1,7-DIOXACYCLODECANE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H60N2O4S
InChI InChI=1S/C33H60N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-24-28-38-30-26-35(27-31-39-29-25-34)40(36,37)33-21-19-32(2)20-22-33/h19-22H,3-18,23-31H2,1-2H3
InChIKey HQIXVRJEEPLMAL-UHFFFAOYSA-N
Literature Reference Author L.ECHEGOYEN,R.C.LAWSON,C.LOPEZ,J.DEMENDOZA,Y.HAFEZ,T.TORRES
Literature Reference Citation J.ORG.CHEM.,59,3814(1994)
Literature Reference DOI 10.1021/jo00093a013
Molecular Weight 580.910 g/mol
Solvent CDCl3
Source File Reference UWCP2843