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N-{2-[5-(diethylamino)-2-nitrophenyl]ethyl}pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-carboxamide
SpectraBase Compound ID KuO3t9i8dzX
InChI InChI=1S/C33H31N3O3/c1-3-35(4-2)23-17-18-30(36(38)39)22(21-23)19-20-34-32(37)33-27-14-8-5-11-24(27)31(25-12-6-9-15-28(25)33)26-13-7-10-16-29(26)33/h5-18,21,31H,3-4,19-20H2,1-2H3,(H,34,37)
InChIKey SOUWNZKSNGTBBB-UHFFFAOYSA-N
Mol Weight 517.6 g/mol
Molecular Formula C33H31N3O3
Exact Mass 517.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DB9KxWfRJLl
Name N-{2-[5-(diethylamino)-2-nitrophenyl]ethyl}pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-carboxamide
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Formula C33H31N3O3
InChI InChI=1S/C33H31N3O3/c1-3-35(4-2)23-17-18-30(36(38)39)22(21-23)19-20-34-32(37)33-27-14-8-5-11-24(27)31(25-12-6-9-15-28(25)33)26-13-7-10-16-29(26)33/h5-18,21,31H,3-4,19-20H2,1-2H3,(H,34,37)
InChIKey SOUWNZKSNGTBBB-UHFFFAOYSA-N
Molecular Weight 517.629 g/mol
SMILES N(CCc1c(ccc(N(CC)CC)c1)[N+]([O-])=O)C(=O)C12c3c(C(c4c2cccc4)c2c1cccc2)cccc3
SPLASH splash10-0udi-0590130000-128c6cfa28f1a86917a9
Source of Spectrum JX-2015-4-1039
Synonyms N-(5-(diethylamino)-2-nitrophenethyl)-9,10-dihydro-9,10-[1,2]benzenoanthracene-9-carboxamide
Wiley ID 1726442