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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0y0RzfvoVu
Name 4-dodecyl-10-(p-tolylsulfonyl)-1,7-dioxa-4,10-diazacyclododecane
Comments Less than 3 mono-isotopic peaks
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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
Molecular Weight 496.751 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CCOCCN(CCOC1)CCCCCCCCCCCC
SPLASH splash10-0006-0009000000-aa1329433c6d8ed5c92f
Source of Spectrum J-59-3819-20
Synonyms 4-lauryl-10-tosyl-1,7-dioxa-4,10-diazacyclododecane
Wiley ID 1398247