8-(Hydrpoxyheptyl)-2,712,18-tetramethyl-21H,23H-porphine-13,17-dipropanoic acid dimethyl ester

SpectraBase Compound ID	1sL3fWrGkkB
InChI	InChI=1S/C39H48N4O5/c1-8-9-10-11-12-36(44)39-25(5)30-18-26-17-22(2)29(40-26)19-31-23(3)27(13-15-37(45)47-6)33(41-31)21-34-28(14-16-38(46)48-7)24(4)32(42-34)20-35(39)43-30/h17-21,36,40,42,44H,8-16H2,1-7H3/b26-18-,29-19-,30-18-,31-19-,32-20-,33-21-,34-21-,35-20-
InChIKey	WWHZNPSJRAOBQV-PHJFJQTFSA-N Google Search
Mol Weight	652.8 g/mol
Molecular Formula	C39H48N4O5
Exact Mass	652.362471 g/mol

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SpectraBase Spectrum ID	3fKW4cvuAdo
Name	8-(Hydrpoxyheptyl)-2,712,18-tetramethyl-21H,23H-porphine-13,17-dipropanoic acid dimethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	652.362470657 u
Formula	C39H48N4O5
InChI	InChI=1S/C39H48N4O5/c1-8-9-10-11-12-36(44)39-25(5)30-18-26-17-22(2)29(40-26)19-31-23(3)27(13-15-37(45)47-6)33(41-31)21-34-28(14-16-38(46)48-7)24(4)32(42-34)20-35(39)43-30/h17-21,36,40,42,44H,8-16H2,1-7H3/b26-18-,29-19-,30-18-,31-19-,32-20-,33-21-,34-21-,35-20-
InChIKey	WWHZNPSJRAOBQV-PHJFJQTFSA-N
Molecular Weight	652.836 g/mol
SMILES	C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CCC(=O)OC)C)C(=C4C)CCC(=O)OC)C(=C3)C)C(=C1C(O)CCCCCC)C