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2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-6-(butylamino)benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID HT52sKnMyPD
InChI InChI=1S/C28H21N3O4/c1-2-3-15-29-22-14-13-21-24-17(22)9-6-12-20(24)27(34)31(28(21)35)30-25(32)18-10-4-7-16-8-5-11-19(23(16)18)26(30)33/h4-14,29H,2-3,15H2,1H3
InChIKey FYQUNSIPGMGFEC-UHFFFAOYSA-N
Mol Weight 463.49 g/mol
Molecular Formula C28H21N3O4
Exact Mass 463.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I35qTKvmoN
Name 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-6-(butylamino)benzo[de]isoquinoline-1,3-dione
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Formula C28H21N3O4
InChI InChI=1S/C28H21N3O4/c1-2-3-15-29-22-14-13-21-24-17(22)9-6-12-20(24)27(34)31(28(21)35)30-25(32)18-10-4-7-16-8-5-11-19(23(16)18)26(30)33/h4-14,29H,2-3,15H2,1H3
InChIKey FYQUNSIPGMGFEC-UHFFFAOYSA-N
Molecular Weight 463.493 g/mol
SMILES N(c1c2c3c(C(N(N4C(c5cccc6c5c(C4=O)ccc6)=O)C(c3cc1)=O)=O)ccc2)CCCC
SPLASH splash10-0230-0400900000-74f017a162c083245f7b
Source of Spectrum KC-0-548-1
Synonyms 6-(butylamino)-2-(1,3-diketobenzo[de]isoquinolin-2-yl)benzo[de]isoquinoline-1,3-quinone 6-(butylamino)-2-(1,3-dioxo-2-benzo[de]isoquinolinyl)benzo[de]isoquinoline-1,3-dione 6-(butylamino)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzo[de]isoquinoline-1,3-dione
Wiley ID 828183