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meso-(2-Formylvinyl)octaethylporphyrin
SpectraBase Compound ID 2QZlxgePJNM
InChI InChI=1S/C39H48N4O/c1-9-23-25(11-3)34-21-36-27(13-5)29(15-7)38(42-36)31(18-17-19-44)39-30(16-8)28(14-6)37(43-39)22-35-26(12-4)24(10-2)33(41-35)20-32(23)40-34/h17-22,40,43H,9-16H2,1-8H3/b18-17+,32-20-,33-20-,34-21-,35-22-,36-21-,37-22-,38-31-,39-31-
InChIKey VAULXYDAKAXOFD-OWSFZVDFSA-N
Mol Weight 588.8 g/mol
Molecular Formula C39H48N4O
Exact Mass 588.382812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PyklKdIsYz
Name meso-(2-Formylvinyl)octaethylporphyrin
Alternate Name(s) (2E)-3-[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-undecaen-2-yl]-2-propenal
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Formula C39H48N4O
InChI InChI=1S/C39H48N4O/c1-9-23-25(11-3)34-21-36-27(13-5)29(15-7)38(42-36)31(18-17-19-44)39-30(16-8)28(14-6)37(43-39)22-35-26(12-4)24(10-2)33(41-35)20-32(23)40-34/h17-22,40,43H,9-16H2,1-8H3/b18-17+,32-20-,33-20-,34-21-,35-22-,36-21-,37-22-,38-31-,39-31-
InChIKey VAULXYDAKAXOFD-OWSFZVDFSA-N
Molecular Weight 588.840 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2\C=C\C=O)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-01q0-0000090000-29bf73585b1ec1579fdd
Source of Spectrum J-56-4413-8
Wiley ID 1409226