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7,9-Diamino-11-(4-bromo-phenyl)-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
SpectraBase Compound ID ArHK0x9c7PJ
InChI InChI=1S/C20H15BrN6O/c21-10-7-5-9(6-8-10)14-13-15(11-3-1-2-4-12(11)17(13)28)25-19-16(24-14)18(22)26-20(23)27-19/h1-8,13-14,24H,(H4,22,23,26,27)
InChIKey CQSQPZXMTXSPLK-UHFFFAOYSA-N
Mol Weight 435.29 g/mol
Molecular Formula C20H15BrN6O
Exact Mass 434.049072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4KCBzvSoJg
Name 7,9-Diamino-11-(4-bromo-phenyl)-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15BrN6O
InChI InChI=1S/C20H15BrN6O/c21-10-7-5-9(6-8-10)14-13-15(11-3-1-2-4-12(11)17(13)28)25-19-16(24-14)18(22)26-20(23)27-19/h1-8,13-14,24H,(H4,22,23,26,27)
InChIKey CQSQPZXMTXSPLK-UHFFFAOYSA-N
Molecular Weight 435.285 g/mol
SMILES Nc1nc(c2c(n1)N=C1C(C(c3ccccc13)=O)C(N2)c1ccc(cc1)Br)N
SPLASH splash10-0f80-0050900000-d75a85ff2589b0af0e03
Source of Spectrum Y-45-1663-7c
Synonyms 9,11-Diamino-6-(4-bromophenyl)-6,7-dihydroindeno[1,2-e]-pyrimido[4,5-b][1,4]diazepin-5(5aH)-one
Wiley ID 1666529