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2,9-Bis[2,6-bis(but-3-enoxy)phenyl]-1,10-phenanthroline

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2,9-Bis[2,6-bis(but-3-enoxy)phenyl]-1,10-phenanthroline
SpectraBase Compound ID 51LzW3ScZRg
InChI InChI=1S/C40H40N2O4/c1-5-9-25-43-33-15-13-16-34(44-26-10-6-2)37(33)31-23-21-29-19-20-30-22-24-32(42-40(30)39(29)41-31)38-35(45-27-11-7-3)17-14-18-36(38)46-28-12-8-4/h5-8,13-24H,1-4,9-12,25-28H2
InChIKey FTCBRMWQSUYLTP-UHFFFAOYSA-N
Mol Weight 612.8 g/mol
Molecular Formula C40H40N2O4
Exact Mass 612.298808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnrmizaXfJi
Name 2,9-bis[2,6-bis(but-3-Enoxy)phenyl]-1,10-phenanthroline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.298807772 u
Formula C40H40N2O4
InChI InChI=1S/C40H40N2O4/c1-5-9-25-43-33-15-13-16-34(44-26-10-6-2)37(33)31-23-21-29-19-20-30-22-24-32(42-40(30)39(29)41-31)38-35(45-27-11-7-3)17-14-18-36(38)46-28-12-8-4/h5-8,13-24H,1-4,9-12,25-28H2
InChIKey FTCBRMWQSUYLTP-UHFFFAOYSA-N
Molecular Weight 612.770 g/mol
SMILES C=1(N=C2C(=CC1)C=CC1=CC=C(N=C21)C1=C(OCCC=C)C=CC=C1OCCC=C)C=1C(OCCC=C)=CC=CC1OCCC=C