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5,10,15,20-TETRA-[3-(3-TRIFLUOROMETHYL)-PHENOXY]-PORPHYRIN
SpectraBase Compound ID 4SeVRT2YFuG
InChI InChI=1S/C72H42F12N4O4/c73-69(74,75)45-13-5-21-53(37-45)89-49-17-1-9-41(33-49)65-57-25-27-59(85-57)66(42-10-2-18-50(34-42)90-54-22-6-14-46(38-54)70(76,77)78)61-29-31-63(87-61)68(44-12-4-20-52(36-44)92-56-24-8-16-48(40-56)72(82,83)84)64-32-30-62(88-64)67(60-28-26-58(65)86-60)43-11-3-19-51(35-43)91-55-23-7-15-47(39-55)71(79,80)81/h1-40,85,88H/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-
InChIKey ONBYFOMCWQSBPT-ZOUHOBQGSA-N
Mol Weight 1255.1 g/mol
Molecular Formula C72H42F12N4O4
Exact Mass 1254.301444 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8iXYxPdc4Ma
Name 5,10,15,20-TETRA-[3-(3-TRIFLUOROMETHYL)-PHENOXY]-PORPHYRIN
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H42F12N4O4
InChI InChI=1S/C72H42F12N4O4/c73-69(74,75)45-13-5-21-53(37-45)89-49-17-1-9-41(33-49)65-57-25-27-59(85-57)66(42-10-2-18-50(34-42)90-54-22-6-14-46(38-54)70(76,77)78)61-29-31-63(87-61)68(44-12-4-20-52(36-44)92-56-24-8-16-48(40-56)72(82,83)84)64-32-30-62(88-64)67(60-28-26-58(65)86-60)43-11-3-19-51(35-43)91-55-23-7-15-47(39-55)71(79,80)81/h1-40,85,88H/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-
InChIKey ONBYFOMCWQSBPT-ZOUHOBQGSA-N
Literature Reference Author C.P.TIDWELL,P.BHARARA,G.RUDESEAL,T.RUDESEAL,F.H.RUDESEAL,C.A .SIMMER,D.M.MILLAN,K
Literature Reference Citation MOLECULES,12,1389(2007)
Literature Reference DOI 10.3390/12071389
Solvent CDCl3
Source File Reference UWLU57356