2,4-Diethyl-7-[2-(methoxycarbonyl)ethyl]-6,.gamma.-[.gamma.'-(methoxycarbonyl)ethylene]-1,3,5,8-tetramethylporphyrin

SpectraBase Compound ID	JXRXi17T4iG
InChI	InChI=1S/C36H40N4O4/c1-9-21-17(3)26-14-28-19(5)23(11-12-32(41)43-7)34(39-28)25-13-24(36(42)44-8)33-20(6)29(40-35(25)33)16-31-22(10-2)18(4)27(38-31)15-30(21)37-26/h14-16,24,38-39H,9-13H2,1-8H3/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,34-25-
InChIKey	UKMAJGVPFGJFQL-BOXIZLLKSA-N Google Search
Mol Weight	592.7 g/mol
Molecular Formula	C36H40N4O4
Exact Mass	592.304956 g/mol

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SpectraBase Spectrum ID	LJwAYtbbTQT
Name	2,4-Diethyl-7-[2-(methoxycarbonyl)ethyl]-6,.gamma.-[.gamma.'-(methoxycarbonyl)ethylene]-1,3,5,8-tetramethylporphyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	592.304955780 u
Formula	C36H40N4O4
InChI	InChI=1S/C36H40N4O4/c1-9-21-17(3)26-14-28-19(5)23(11-12-32(41)43-7)34(39-28)25-13-24(36(42)44-8)33-20(6)29(40-35(25)33)16-31-22(10-2)18(4)27(38-31)15-30(21)37-26/h14-16,24,38-39H,9-13H2,1-8H3/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,34-25-
InChIKey	UKMAJGVPFGJFQL-BOXIZLLKSA-N
Molecular Weight	592.740 g/mol
SMILES	C12=C3NC(=CC4=NC(C(=C4C)CC)=CC=4NC(C=C5N=C1C(=C5C)C(C2)C(=O)OC)=C(C4C)CC)C(=C3CCC(=O)OC)C