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2,3-Dicyano-5,7-bis[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine
SpectraBase Compound ID DLq7xCbdM4X
InChI InChI=1S/C35H34N6/c36-22-32-33(23-37)39-31(12-10-25-19-28-7-3-15-41-16-4-8-29(20-25)35(28)41)21-30(38-32)11-9-24-17-26-5-1-13-40-14-2-6-27(18-24)34(26)40/h9-12,17-20H,1-8,13-16,21H2/b11-9+,12-10+
InChIKey CWMJGCFJFVGDHQ-WGDLNXRISA-N
Mol Weight 538.7 g/mol
Molecular Formula C35H34N6
Exact Mass 538.284495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xYbKlKmRLJ
Name 2,3-Dicyano-5,7-bis[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine
Alternate Name(s) 5,7-bis[(E)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)ethenyl]-6H-1,4-diazepine-2,3-dicarbonitrile
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Formula C35H34N6
InChI InChI=1S/C35H34N6/c36-22-32-33(23-37)39-31(12-10-25-19-28-7-3-15-41-16-4-8-29(20-25)35(28)41)21-30(38-32)11-9-24-17-26-5-1-13-40-14-2-6-27(18-24)34(26)40/h9-12,17-20H,1-8,13-16,21H2/b11-9+,12-10+
InChIKey CWMJGCFJFVGDHQ-WGDLNXRISA-N
Molecular Weight 538.699 g/mol
SMILES C1(=C(N=C(\C=C\c2cc3CCCN4c3c(c2)CCC4)CC(=N1)\C=C\c1cc2CCCN3c2c(c1)CCC3)C#N)C#N
SPLASH splash10-000i-0901010000-9112253ed142b9f77def
Source of Spectrum HC-78-321-18
Wiley ID 1612695