21H,23H-Porphine-2,18-dipropanoic acid, 5-(benzoyloxy)-7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester

SpectraBase Compound ID	9x4oibwbKZB
InChI	InChI=1S/C43H42N4O6/c1-9-28-23(3)32-20-33-25(5)30(16-18-38(48)51-7)36(45-33)22-37-31(17-19-39(49)52-8)26(6)40(47-37)42(53-43(50)27-14-12-11-13-15-27)41-29(10-2)24(4)34(46-41)21-35(28)44-32/h9-15,20-22,44,47H,1-2,16-19H2,3-8H3/b32-20-,33-20-,34-21-,35-21-,36-22-,37-22-,42-40+,42-41+
InChIKey	NETRGZMWQNJUKQ-XTOOUINOSA-N Google Search
Mol Weight	710.8 g/mol
Molecular Formula	C43H42N4O6
Exact Mass	710.310435 g/mol

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SpectraBase Spectrum ID	27ZChLMDywu
Name	21H,23H-Porphine-2,18-dipropanoic acid, 5-(benzoyloxy)-7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	710.310435082 u
Formula	C43H42N4O6
InChI	InChI=1S/C43H42N4O6/c1-9-28-23(3)32-20-33-25(5)30(16-18-38(48)51-7)36(45-33)22-37-31(17-19-39(49)52-8)26(6)40(47-37)42(53-43(50)27-14-12-11-13-15-27)41-29(10-2)24(4)34(46-41)21-35(28)44-32/h9-15,20-22,44,47H,1-2,16-19H2,3-8H3/b32-20-,33-20-,34-21-,35-21-,36-22-,37-22-,42-40+,42-41+
InChIKey	NETRGZMWQNJUKQ-XTOOUINOSA-N
Molecular Weight	710.831 g/mol
SMILES	C1(=C2N=C(C=C3NC(C(=C3C=C)C)=CC3=NC(=CC=4NC1=C(C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(=C2C=C)C)OC(=O)C=1C=CC=CC1