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2,9-bis{[(4-Chlorobenzoyl)hydrazono]methyl}-1,10-phenanthroline

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2,9-bis{[(4-Chlorobenzoyl)hydrazono]methyl}-1,10-phenanthroline
SpectraBase Compound ID D55nr3SJJJ
InChI InChI=1S/C28H18Cl2N6O2/c29-21-9-3-19(4-10-21)27(37)35-31-15-23-13-7-17-1-2-18-8-14-24(34-26(18)25(17)33-23)16-32-36-28(38)20-5-11-22(30)12-6-20/h1-16H,(H,35,37)(H,36,38)/b31-15-,32-16+
InChIKey VIROASJKWRVERE-YHIIUTLSSA-N
Mol Weight 541.4 g/mol
Molecular Formula C28H18Cl2N6O2
Exact Mass 540.086829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nfnR6crAfF
Name 2,9-bis{[(4-Chlorobenzoyl)hydrazono]methyl}-1,10-phenanthroline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.086829242 u
Formula C28H18Cl2N6O2
InChI InChI=1S/C28H18Cl2N6O2/c29-21-9-3-19(4-10-21)27(37)35-31-15-23-13-7-17-1-2-18-8-14-24(34-26(18)25(17)33-23)16-32-36-28(38)20-5-11-22(30)12-6-20/h1-16H,(H,35,37)(H,36,38)/b31-15-,32-16+
InChIKey VIROASJKWRVERE-YHIIUTLSSA-N
Molecular Weight 541.398 g/mol
SMILES N(\N=C\c1nc2c(ccc3ccc(\C=N/NC(=O)c4ccc(cc4)Cl)nc23)cc1)C(=O)c1ccc(cc1)Cl