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meso-formyloctaethylporphyrin
SpectraBase Compound ID DfFsUczFjHe
InChI InChI=1S/C37H46N4O/c1-9-21-23(11-3)32-18-34-25(13-5)27(15-7)36(40-34)29(20-42)37-28(16-8)26(14-6)35(41-37)19-33-24(12-4)22(10-2)31(39-33)17-30(21)38-32/h17-20,38,41H,9-16H2,1-8H3/b30-17-,31-17-,32-18-,33-19-,34-18-,35-19-,36-29-,37-29-
InChIKey GEBAJKPVNCZHLL-USTYAOQISA-N
Mol Weight 562.8 g/mol
Molecular Formula C37H46N4O
Exact Mass 562.367162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lqiirpdh8F
Name meso-formyloctaethylporphyrin
Alternate Name(s) 4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene-2-carbaldehyde
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Formula C37H46N4O
InChI InChI=1S/C37H46N4O/c1-9-21-23(11-3)32-18-34-25(13-5)27(15-7)36(40-34)29(20-42)37-28(16-8)26(14-6)35(41-37)19-33-24(12-4)22(10-2)31(39-33)17-30(21)38-32/h17-20,38,41H,9-16H2,1-8H3/b30-17-,31-17-,32-18-,33-19-,34-18-,35-19-,36-29-,37-29-
InChIKey GEBAJKPVNCZHLL-USTYAOQISA-N
Molecular Weight 562.802 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2C=O)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-01q9-0000090000-3a2d288c27c92d007e01
Source of Spectrum HC-15-633-0
Wiley ID 1406988