21H,23H-Porphine-2,7,18-tripropanoic acid, 3,8,13,17-tetramethyl-, trimethyl ester

SpectraBase Compound ID	9QBxTtjPn3Q
InChI	InChI=1S/C36H40N4O6/c1-19-14-23-15-28-20(2)24(8-11-34(41)44-5)31(38-28)17-30-22(4)26(10-13-36(43)46-7)33(40-30)18-32-25(9-12-35(42)45-6)21(3)29(39-32)16-27(19)37-23/h14-18,37,40H,8-13H2,1-7H3/b23-15-,27-16-,28-15-,29-16-,30-17-,31-17-,32-18-,33-18-
InChIKey	NGVHKSOVBMAQKA-PZDDCRRUSA-N Google Search
Mol Weight	624.7 g/mol
Molecular Formula	C36H40N4O6
Exact Mass	624.294785 g/mol

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SpectraBase Spectrum ID	IstcwrpQnoo
Name	21H,23H-Porphine-2,7,18-tripropanoic acid, 3,8,13,17-tetramethyl-, trimethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	624.294785018 u
Formula	C36H40N4O6
InChI	InChI=1S/C36H40N4O6/c1-19-14-23-15-28-20(2)24(8-11-34(41)44-5)31(38-28)17-30-22(4)26(10-13-36(43)46-7)33(40-30)18-32-25(9-12-35(42)45-6)21(3)29(39-32)16-27(19)37-23/h14-18,37,40H,8-13H2,1-7H3/b23-15-,27-16-,28-15-,29-16-,30-17-,31-17-,32-18-,33-18-
InChIKey	NGVHKSOVBMAQKA-PZDDCRRUSA-N
Molecular Weight	624.738 g/mol
SMILES	C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C=C3C)C(=C1CCC(=O)OC)C