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

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4-DODECYL-10-(4'-METHYLBENZENESULFONYL)-4,10-DIAZA-1,7-DIOXACYCLODECANE
SpectraBase Compound ID 6UbuoQFMIyk
InChI InChI=1S/C27H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-17-28-18-22-32-24-20-29(21-25-33-23-19-28)34(30,31)27-15-13-26(2)14-16-27/h13-16H,3-12,17-25H2,1-2H3
InChIKey PDLIGFKAULHHRS-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C27H48N2O4S
Exact Mass 496.333479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69z7lMw9Yos
Name 4-DODECYL-10-(4'-METHYLBENZENESULFONYL)-4,10-DIAZA-1,7-DIOXACYCLODECANE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48N2O4S
InChI InChI=1S/C27H48N2O4S/c1-3-4-5-6-7-8-9-10-11-12-17-28-18-22-32-24-20-29(21-25-33-23-19-28)34(30,31)27-15-13-26(2)14-16-27/h13-16H,3-12,17-25H2,1-2H3
InChIKey PDLIGFKAULHHRS-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 496.749 g/mol
Solvent CDCl3
Source File Reference UWCP2842