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21H,23H-Porphine-2,18-dipropanoic acid, 8,13-diethyl-7,8-dihydro-3,7,12,17-tetramethyl-, dimethyl ester, trans-
SpectraBase Compound ID COGagATxXVy
InChI InChI=1S/C36H44N4O4/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/h15-19,23,38-39H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey GWMPYAZOVWMMBM-MFBGAUBSSA-N
Mol Weight 596.8 g/mol
Molecular Formula C36H44N4O4
Exact Mass 596.336256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64MtC5C1ZKr
Name 21H,23H-Porphine-2,18-dipropanoic acid, 8,13-diethyl-7,8-dihydro-3,7,12,17-tetramethyl-, dimethyl ester, trans-
Alternate Name(s) 2,4-Diethyl-6,7-bis(2-methoxycarbonylethyl)-1,3,5,8-tetramethyl-1,2-dihydroporphyrin Mesochlorin DME Methyl 3-[10,15-diethyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-4-yl]propanoate
CAS Registry Number 122212-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44N4O4
InChI InChI=1S/C36H44N4O4/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/h15-19,23,38-39H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey GWMPYAZOVWMMBM-MFBGAUBSSA-N
Molecular Weight 596.772 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)C(C1CC)C)C)CC
SPLASH splash10-0002-0051190000-a3d6f3b12fc1c3bdae2c
Source of Spectrum KC-1988-3127-6
Wiley ID 1409837