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5-Hexyl-10,20-bis(4-methoxyphenyl)porphyrin
SpectraBase Compound ID 3gYZZ997M8D
InChI InChI=1S/C40H38N4O2/c1-4-5-6-7-8-32-33-21-23-37(43-33)39(26-9-15-30(45-2)16-10-26)35-19-13-28(41-35)25-29-14-20-36(42-29)40(38-24-22-34(32)44-38)27-11-17-31(46-3)18-12-27/h9-25,41,44H,4-8H2,1-3H3/b28-25-,29-25-,33-32-,34-32-,39-35-,39-37-,40-36-,40-38-
InChIKey OQZJKXRZSOXNEQ-HLJDJVGRSA-N
Mol Weight 606.8 g/mol
Molecular Formula C40H38N4O2
Exact Mass 606.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4m9Ax18Dlo7
Name 5-Hexyl-10,20-bis(4-methoxyphenyl)porphyrin
Alternate Name(s) 7-Hexyl-2,12-bis(4-methoxyphenyl)-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
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Formula C40H38N4O2
InChI InChI=1S/C40H38N4O2/c1-4-5-6-7-8-32-33-21-23-37(43-33)39(26-9-15-30(45-2)16-10-26)35-19-13-28(41-35)25-29-14-20-36(42-29)40(38-24-22-34(32)44-38)27-11-17-31(46-3)18-12-27/h9-25,41,44H,4-8H2,1-3H3/b28-25-,29-25-,33-32-,34-32-,39-35-,39-37-,40-36-,40-38-
InChIKey OQZJKXRZSOXNEQ-HLJDJVGRSA-N
Molecular Weight 606.770 g/mol
SMILES [nH]1c2c(c3nc(c(c4ccc(c(c5nc(cc1cc2)cc5)-c1ccc(cc1)OC)[nH]4)CCCCCC)cc3)-c1ccc(cc1)OC
SPLASH splash10-0a4i-0000039000-b072bb7878790c8f5765
Source of Spectrum KC-91-5548-31
Wiley ID 1629486