21H,23H-Porphine-2,7,18-tripropanoic acid, 12-acetyl-3,8,13,17-tetramethyl-, trimethyl ester

SpectraBase Compound ID	5pRIr4FShD0
InChI	InChI=1S/C38H42N4O7/c1-19-25(10-13-36(45)48-7)32-18-33-26(11-14-37(46)49-8)20(2)28(40-33)16-31-24(9-12-35(44)47-6)21(3)29(41-31)17-34-38(23(5)43)22(4)30(42-34)15-27(19)39-32/h15-18,40,42H,9-14H2,1-8H3/b27-15-,28-16-,29-17-,30-15-,31-16-,32-18-,33-18-,34-17-
InChIKey	OYXSNEPRPDLGSA-ZYHOEOSWSA-N Google Search
Mol Weight	666.8 g/mol
Molecular Formula	C38H42N4O7
Exact Mass	666.30535 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AtBwg0kT7eG
Name	21H,23H-Porphine-2,7,18-tripropanoic acid, 12-acetyl-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	666.305349701 u
Formula	C38H42N4O7
InChI	InChI=1S/C38H42N4O7/c1-19-25(10-13-36(45)48-7)32-18-33-26(11-14-37(46)49-8)20(2)28(40-33)16-31-24(9-12-35(44)47-6)21(3)29(41-31)17-34-38(23(5)43)22(4)30(42-34)15-27(19)39-32/h15-18,40,42H,9-14H2,1-8H3/b27-15-,28-16-,29-17-,30-15-,31-16-,32-18-,33-18-,34-17-
InChIKey	OYXSNEPRPDLGSA-ZYHOEOSWSA-N
Molecular Weight	666.775 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(=O)C)C(=C1CCC(=O)OC)C