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Mesoporphyrin IX dimethyl ester
SpectraBase Compound ID 5ftp4DJ3biA
InChI InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37,40H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey LUUYUVIPWOKSNM-MFBGAUBSSA-N
Mol Weight 594.8 g/mol
Molecular Formula C36H42N4O4
Exact Mass 594.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7llGH5zWTb6
Name Dimethyl 8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
CAS Registry Number 1263-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42N4O4
InChI InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37,40H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey LUUYUVIPWOKSNM-MFBGAUBSSA-N
Molecular Weight 594.756 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CCC(=O)OC)C)[nH]3)CCC(OC)=O)C)c(c1C)CC)CC)C
SPLASH splash10-0006-0010190000-b7602cd36c5ef7007777
Source of Spectrum NP-16-837-0
Synonyms 2,18-Porphinedipropionic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester Mesoporphyrin dimethyl ester Mesoporphyrin ix dimethyl ester
Wiley ID 1113151