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3,3,13,13-Tetrabutyl-6,7,9,10-tetrahydro-2,4,12,14(1H,3H,13H,15H)-diquin[6,7-c][7,6-h]acridinetetraone
SpectraBase Compound ID JMkZueKlI6f
InChI InChI=1S/C43H51N3O4/c1-5-9-17-42(18-10-6-2)38(47)32-22-26-13-15-28-21-29-16-14-27-23-33-35(45-41(50)43(39(33)48,19-11-7-3)20-12-8-4)25-31(27)37(29)46-36(28)30(26)24-34(32)44-40(42)49/h21-25H,5-20H2,1-4H3,(H,44,49)(H,45,50)
InChIKey SRLCATJKJUGNEM-UHFFFAOYSA-N
Mol Weight 673.9 g/mol
Molecular Formula C43H51N3O4
Exact Mass 673.387957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YLchfYqiKK
Name 3,3,13,13-Tetrabutyl-6,7,9,10-tetrahydro-2,4,12,14(1H,3H,13H,15H)-diquin[6,7-c][7,6-h]acridinetetraone
Alternate Name(s) 3,3,13,13-tetrabutyl-6,9,10,15-tetrahydrodiquino[6,7-c:7,6-h]acridine-2,4,12,14(1H,3H,7H,13H)-tetrone
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Formula C43H51N3O4
InChI InChI=1S/C43H51N3O4/c1-5-9-17-42(18-10-6-2)38(47)32-22-26-13-15-28-21-29-16-14-27-23-33-35(45-41(50)43(39(33)48,19-11-7-3)20-12-8-4)25-31(27)37(29)46-36(28)30(26)24-34(32)44-40(42)49/h21-25H,5-20H2,1-4H3,(H,44,49)(H,45,50)
InChIKey SRLCATJKJUGNEM-UHFFFAOYSA-N
Molecular Weight 673.898 g/mol
SMILES N1c2c(cc3c(-c4nc5-c6c(cc7C(C(C(Nc7c6)=O)(CCCC)CCCC)=O)CCc5cc4CC3)c2)C(C(C1=O)(CCCC)CCCC)=O
SPLASH splash10-00p0-0260479000-5180f125c8c03988b454
Source of Spectrum F-55-4090-15
Wiley ID 837159