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1-(1-Ethoxyethyl)-2,3,4,5,6,7,8-heptaethylporphyrin

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1-(1-Ethoxyethyl)-2,3,4,5,6,7,8-heptaethylporphyrin
SpectraBase Compound ID DxUU1yHCRiO
InChI InChI=1S/C38H50N4O/c1-10-23-24(11-2)31-19-33-27(14-5)28(15-6)35(41-33)21-37-38(22(9)43-17-8)29(16-7)36(42-37)20-34-26(13-4)25(12-3)32(40-34)18-30(23)39-31/h18-22,40-41H,10-17H2,1-9H3/b30-18-,31-19-,32-18-,33-19-,34-20-,35-21-,36-20-,37-21-
InChIKey FHCGLTWFBPDBPS-ARUWFBQFSA-N
Mol Weight 578.8 g/mol
Molecular Formula C38H50N4O
Exact Mass 578.398462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oxh0AVlvAM
Name 1-(1-Ethoxyethyl)-2,3,4,5,6,7,8-heptaethylporphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.398462245 u
Formula C38H50N4O
InChI InChI=1S/C38H50N4O/c1-10-23-24(11-2)31-19-33-27(14-5)28(15-6)35(41-33)21-37-38(22(9)43-17-8)29(16-7)36(42-37)20-34-26(13-4)25(12-3)32(40-34)18-30(23)39-31/h18-22,40-41H,10-17H2,1-9H3/b30-18-,31-19-,32-18-,33-19-,34-20-,35-21-,36-20-,37-21-
InChIKey FHCGLTWFBPDBPS-ARUWFBQFSA-N
Molecular Weight 578.845 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C(=C1CC)C(OCC)C