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13,19-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.2.1.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione
SpectraBase Compound ID HpPAaNcRAvl
InChI InChI=1S/C21H26N4O9/c1-30-20(28)16-12-14-18(26)33-10-4-8-32-9-5-11-34-19(27)15-13-17(21(29)31-2)25(23-15)7-3-6-24(16)22-14/h12-13H,3-11H2,1-2H3
InChIKey DVKLCEFGTQZMCL-UHFFFAOYSA-N
Mol Weight 478.46 g/mol
Molecular Formula C21H26N4O9
Exact Mass 478.169978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwMlQvt4hEp
Name 13,19-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.2.1.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione
Comments Less than 3 mono-isotopic peaks
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Formula C21H26N4O9
InChI InChI=1S/C21H26N4O9/c1-30-20(28)16-12-14-18(26)33-10-4-8-32-9-5-11-34-19(27)15-13-17(21(29)31-2)25(23-15)7-3-6-24(16)22-14/h12-13H,3-11H2,1-2H3
InChIKey DVKLCEFGTQZMCL-UHFFFAOYSA-N
Molecular Weight 478.458 g/mol
SMILES c1(cc2C(OCCCOCCCOC(c3n[n](c(c3)C(=O)OC)CCC[n]1n2)=O)=O)C(=O)OC
SPLASH splash10-0udi-0090300000-a588bc973d49f54735d4
Source of Spectrum F-53-11486-3
Synonyms dimethyl 9,19-dioxo-10,14,18-trioxa-1,5,23,24-tetraazatricyclo[18.2.1.1(5,8)]tetracosa-6,8(24),20(23),21-tetraene-6,22-dicarboxylate
Wiley ID 803465