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3,5-Diphenyl-1,7-di-(2-pyridyl)-4-(2-pyridylcarbonyl)-1,7-heptanedione

View entire compound with spectra: 1 NMR, and 1 FTIR

3,5-Diphenyl-1,7-di-(2-pyridyl)-4-(2-pyridylcarbonyl)-1,7-heptanedione
SpectraBase Compound ID JhkS4jxjqTU
InChI InChI=1S/C35H29N3O3/c39-32(29-17-7-10-20-36-29)23-27(25-13-3-1-4-14-25)34(35(41)31-19-9-12-22-38-31)28(26-15-5-2-6-16-26)24-33(40)30-18-8-11-21-37-30/h1-22,27-28,34H,23-24H2
InChIKey BTSNYHQLWPWIHS-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C35H29N3O3
Exact Mass 539.220892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LP3KBY5kjvf
Name 3,5-Diphenyl-1,7-di-(2-pyridyl)-4-(2-pyridylcarbonyl)-1,7-heptanedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.220891803 u
Formula C35H29N3O3
InChI InChI=1S/C35H29N3O3/c39-32(29-17-7-10-20-36-29)23-27(25-13-3-1-4-14-25)34(35(41)31-19-9-12-22-38-31)28(26-15-5-2-6-16-26)24-33(40)30-18-8-11-21-37-30/h1-22,27-28,34H,23-24H2
InChIKey BTSNYHQLWPWIHS-UHFFFAOYSA-N
Molecular Weight 539.635 g/mol
SMILES C(=O)(CC(C(C(CC(=O)C=1N=CC=CC1)C=1C=CC=CC1)C(=O)C=1N=CC=CC1)C=1C=CC=CC1)C=1C=CC=CN1