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3,8-Bis(2,2-dimethoxyethyl)-2,7,12,18-tetramethylporphyrin-13,17-dipropanoic acid, dimethyl ester
SpectraBase Compound ID GFxxlUU7uGf
InChI InChI=1S/C40H50N4O8/c1-21-25(11-13-37(45)47-5)33-20-34-26(12-14-38(46)48-6)22(2)31(42-34)18-35-28(16-40(51-9)52-10)24(4)32(44-35)19-36-27(15-39(49-7)50-8)23(3)30(43-36)17-29(21)41-33/h17-20,39-40,42-43H,11-16H2,1-10H3/b29-17-,30-17-,31-18-,32-19-,33-20-,34-20-,35-18-,36-19-
InChIKey KHJMXCBJWUTICC-CTZZEKEESA-N
Mol Weight 714.9 g/mol
Molecular Formula C40H50N4O8
Exact Mass 714.362865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgXPBigfUCu
Name 3,8-Bis(2,2-dimethoxyethyl)-2,7,12,18-tetramethylporphyrin-13,17-dipropanoic acid, dimethyl ester
CAS Registry Number 40176-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H50N4O8
InChI InChI=1S/C40H50N4O8/c1-21-25(11-13-37(45)47-5)33-20-34-26(12-14-38(46)48-6)22(2)31(42-34)18-35-28(16-40(51-9)52-10)24(4)32(44-35)19-36-27(15-39(49-7)50-8)23(3)30(43-36)17-29(21)41-33/h17-20,39-40,42-43H,11-16H2,1-10H3/b29-17-,30-17-,31-18-,32-19-,33-20-,34-20-,35-18-,36-19-
InChIKey KHJMXCBJWUTICC-CTZZEKEESA-N
Molecular Weight 714.860 g/mol
SMILES [nH]1c2cc3nc(cc4c(c(c(cc5nc(cc1c(c2C)CCC(=O)OC)c(c5C)CCC(=O)OC)[nH]4)C)CC(OC)OC)c(c3CC(OC)OC)C
SPLASH splash10-001i-9000017100-751632ae9b23a4832059
Wiley ID 1485347