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1,18-Diaza-3,4;15,16-dibenzo-19-(thiocarbonyl)-5,8,11,14-tetraoxacyclononadecane-2,18-dione
SpectraBase Compound ID CAMwrU1UIEH
InChI InChI=1S/C21H22N2O6S/c24-19-15-5-1-3-7-17(15)28-13-11-26-9-10-27-12-14-29-18-8-4-2-6-16(18)20(25)23-21(30)22-19/h1-8H,9-14H2,(H2,22,23,24,25,30)
InChIKey XJRULTNYAWSQEQ-UHFFFAOYSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoKlJgU7Kab
Name 1,18-Diaza-3,4;15,16-dibenzo-19-(thiocarbonyl)-5,8,11,14-tetraoxacyclononadecane-2,18-dione
Alternate Name(s) 1,18-Diaza-3,4 1,18-Diaza-3,4;15,16-dibenzo-19-(thiocarbonyl)-5,8,11,14-tetraoxa-cyclononadecane-2,17-dione 15,16-Dibenzo-19-(thiocarbonyl)-5,8,11,14-tetraoxacyclononadecane-2,18-dione
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Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c24-19-15-5-1-3-7-17(15)28-13-11-26-9-10-27-12-14-29-18-8-4-2-6-16(18)20(25)23-21(30)22-19/h1-8H,9-14H2,(H2,22,23,24,25,30)
InChIKey XJRULTNYAWSQEQ-UHFFFAOYSA-N
Molecular Weight 430.475 g/mol
SMILES N1C(c2c(OCCOCCOCCOc3c(C(NC1=S)=O)cccc3)cccc2)=O
SPLASH splash10-00di-3900000000-3d19e21f36320437a2b7
Source of Spectrum J-63-1460-8
Wiley ID 1381436