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5-(4-Hydroxyphenyl)-15-pentyl-10,20-diphenylporphyrin
SpectraBase Compound ID G6ceBEROYCB
InChI InChI=1S/C43H36N4O/c1-2-3-6-15-32-33-20-22-35(44-33)41(28-11-7-4-8-12-28)37-24-26-39(46-37)43(30-16-18-31(48)19-17-30)40-27-25-38(47-40)42(29-13-9-5-10-14-29)36-23-21-34(32)45-36/h4-5,7-14,16-27,44,47-48H,2-3,6,15H2,1H3/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-
InChIKey BCIILWWDQYAVBZ-WPHQCOOLSA-N
Mol Weight 624.8 g/mol
Molecular Formula C43H36N4O
Exact Mass 624.288912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcfwxRHfsjY
Name 5-(4-Hydroxyphenyl)-15-pentyl-10,20-diphenylporphyrin
Alternate Name(s) 4-[12-pentyl-7,17-diphenyl-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]phenol
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Formula C43H36N4O
InChI InChI=1S/C43H36N4O/c1-2-3-6-15-32-33-20-22-35(44-33)41(28-11-7-4-8-12-28)37-24-26-39(46-37)43(30-16-18-31(48)19-17-30)40-27-25-38(47-40)42(29-13-9-5-10-14-29)36-23-21-34(32)45-36/h4-5,7-14,16-27,44,47-48H,2-3,6,15H2,1H3/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-
InChIKey BCIILWWDQYAVBZ-WPHQCOOLSA-N
Molecular Weight 624.788 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3ccc(c(-c4ccc(cc4)O)c4nc(c2-c2ccccc2)cc4)[nH]3)-c2ccccc2)cc1)CCCCC
SPLASH splash10-014i-0002094000-3a0f82f524fdbbc8ce17
Source of Spectrum O1-65-2447-13
Wiley ID 1593253