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7,9-Diamino-11-(4-nitro-phenyl)-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
SpectraBase Compound ID 7Pjcv9WXWo8
InChI InChI=1S/C20H15N7O3/c21-18-16-19(26-20(22)25-18)24-15-11-3-1-2-4-12(11)17(28)13(15)14(23-16)9-5-7-10(8-6-9)27(29)30/h1-8,13-14,23H,(H4,21,22,25,26)
InChIKey RJKGXJXDZAAEHV-UHFFFAOYSA-N
Mol Weight 401.39 g/mol
Molecular Formula C20H15N7O3
Exact Mass 401.123637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0wUHrU7X7E
Name 7,9-Diamino-11-(4-nitro-phenyl)-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N7O3
InChI InChI=1S/C20H15N7O3/c21-18-16-19(26-20(22)25-18)24-15-11-3-1-2-4-12(11)17(28)13(15)14(23-16)9-5-7-10(8-6-9)27(29)30/h1-8,13-14,23H,(H4,21,22,25,26)
InChIKey RJKGXJXDZAAEHV-UHFFFAOYSA-N
Molecular Weight 401.386 g/mol
SMILES Nc1nc(c2c(n1)N=C1C(C(c3ccccc13)=O)C(N2)c1ccc(N(=O)=O)cc1)N
SPLASH splash10-0udi-0090300000-f8afc83178585fb02f8b
Source of Spectrum Y-45-1662-7a
Synonyms 9,11-Diamino-6-(4-nitrophenyl)-6,7-dihydroindeno[1,2-e]-pyrimido[4,5-b][1,4]diazepin-5(5aH)-one
Wiley ID 1666531