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Dipentyl 7,14,23,30-tetraoxo-6,7,8,13,14,15,22,23,24,29,30,31-dodecahydrotetrabenzo[b,h,n,t][1,4,13,16,7,10,19,22]tetraoxatetraazacyclotetracosine-10,27-dicarboxylate
SpectraBase Compound ID ATjnHOwk0b2
InChI InChI=1S/C44H48N4O12/c1-3-5-11-21-55-43(53)29-17-19-31-33(23-29)47-41(51)27-59-37-15-9-10-16-38(37)60-28-42(52)48-34-24-30(44(54)56-22-12-6-4-2)18-20-32(34)46-40(50)26-58-36-14-8-7-13-35(36)57-25-39(49)45-31/h7-10,13-20,23-24H,3-6,11-12,21-22,25-28H2,1-2H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKey FBEXNNACPFYPSR-UHFFFAOYSA-N
Mol Weight 824.9 g/mol
Molecular Formula C44H48N4O12
Exact Mass 824.326873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FPSS6IrQDy
Name Dipentyl 7,14,23,30-tetraoxo-6,7,8,13,14,15,22,23,24,29,30,31-dodecahydrotetrabenzo[b,h,n,t][1,4,13,16,7,10,19,22]tetraoxatetraazacyclotetracosine-10,27-dicarboxylate
Alternate Name(s) 8,29-dipentyl 4,13,24,33-tetraoxo-2,15,22,35-tetraoxa-5,12,25,32-tetraazapentacyclo[34.4.0.0(6,11).0(16,21).0(26,31)]tetraconta-1(40),6,8,10,16,18,20,26,28,30,36,38-dodecaene-8,29-dicarboxylate
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Formula C44H48N4O12
InChI InChI=1S/C44H48N4O12/c1-3-5-11-21-55-43(53)29-17-19-31-33(23-29)47-41(51)27-59-37-15-9-10-16-38(37)60-28-42(52)48-34-24-30(44(54)56-22-12-6-4-2)18-20-32(34)46-40(50)26-58-36-14-8-7-13-35(36)57-25-39(49)45-31/h7-10,13-20,23-24H,3-6,11-12,21-22,25-28H2,1-2H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKey FBEXNNACPFYPSR-UHFFFAOYSA-N
Molecular Weight 824.884 g/mol
SMILES N1c2c(ccc(c2)C(=O)OCCCCC)NC(COc2c(OCC(Nc3c(NC(COc4c(OCC1=O)cccc4)=O)cc(cc3)C(=O)OCCCCC)=O)cccc2)=O
SPLASH splash10-0udi-2091100000-bd1656a52cd5a37a88b9
Source of Spectrum F4-0-1002-4
Wiley ID 1619406