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2,3-Dicyano-5,7-bis[2-(9-ethyl-3-carbazolyl)ethenyl]-6H-1,4-diazepine
SpectraBase Compound ID 2kEJoxkm4bs
InChI InChI=1S/C39H30N6/c1-3-44-36-11-7-5-9-30(36)32-21-26(15-19-38(32)44)13-17-28-23-29(43-35(25-41)34(24-40)42-28)18-14-27-16-20-39-33(22-27)31-10-6-8-12-37(31)45(39)4-2/h5-22H,3-4,23H2,1-2H3/b17-13+,18-14+
InChIKey ZSOKTLSOIVLIGG-HBKJEHTGSA-N
Mol Weight 582.7 g/mol
Molecular Formula C39H30N6
Exact Mass 582.253195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZG7lkKvbyc
Name 2,3-Dicyano-5,7-bis[2-(9-ethyl-3-carbazolyl)ethenyl]-6H-1,4-diazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.253194990 u
Formula C39H30N6
InChI InChI=1S/C39H30N6/c1-3-44-36-11-7-5-9-30(36)32-21-26(15-19-38(32)44)13-17-28-23-29(43-35(25-41)34(24-40)42-28)18-14-27-16-20-39-33(22-27)31-10-6-8-12-37(31)45(39)4-2/h5-22H,3-4,23H2,1-2H3/b17-13+,18-14+
InChIKey ZSOKTLSOIVLIGG-HBKJEHTGSA-N
Molecular Weight 582.711 g/mol
SMILES C=1(N=C(CC(=NC1C#N)\C=C\C=1C=CC=2N(C3=C(C2C1)C=CC=C3)CC)\C=C\C=1C=CC=2N(C3=C(C2C1)C=CC=C3)CC)C#N