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7,23-Dibenzyl-3,11,19,27-tetraoxo-1,4,7,10,13,17,20,23,26,29-decaazatricyclo[27.3.2.2(13,17)]hexatriacontane
SpectraBase Compound ID K1RFzUKz7zS
InChI InChI=1S/C40H62N10O4/c51-37-31-45-17-7-19-47(27-25-45)33-39(53)43-15-23-50(30-36-11-5-2-6-12-36)24-16-44-40(54)34-48-20-8-18-46(26-28-48)32-38(52)42-14-22-49(21-13-41-37)29-35-9-3-1-4-10-35/h1-6,9-12H,7-8,13-34H2,(H,41,51)(H,42,52)(H,43,53)(H,44,54)
InChIKey ADOAFLHMCBDRMW-UHFFFAOYSA-N
Mol Weight 747.0 g/mol
Molecular Formula C40H62N10O4
Exact Mass 746.495551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8apq4aMfSoe
Name 7,23-Dibenzyl-3,11,19,27-tetraoxo-1,4,7,10,13,17,20,23,26,29-decaazatricyclo[27.3.2.2(13,17)]hexatriacontane
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Formula C40H62N10O4
InChI InChI=1S/C40H62N10O4/c51-37-31-45-17-7-19-47(27-25-45)33-39(53)43-15-23-50(30-36-11-5-2-6-12-36)24-16-44-40(54)34-48-20-8-18-46(26-28-48)32-38(52)42-14-22-49(21-13-41-37)29-35-9-3-1-4-10-35/h1-6,9-12H,7-8,13-34H2,(H,41,51)(H,42,52)(H,43,53)(H,44,54)
InChIKey ADOAFLHMCBDRMW-UHFFFAOYSA-N
Molecular Weight 747.002 g/mol
SMILES N1CCN(CCNC(CN2CCN(CC(NCCN(CCNC(CN3CCN(CC1=O)CCC3)=O)Cc1ccccc1)=O)CCC2)=O)Cc1ccccc1
SPLASH splash10-0006-9600000000-4dabafce8959c152ddd6
Source of Spectrum SB-49-137-6
Synonyms 7,23-dibenzyl-1,4,7,10,13,17,20,23,26,29-decaazatricyclo[27.3.2.2(13,17)]hexatriacontane-3,11,19,27-tetrone
Wiley ID 1416243