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MESO-(3-HYDROXY-3-TRIFLUOROMETHYL-PROPENYL)-OCTAETHYLPORPHYRIN

View entire compound with spectra: 1 NMR

MESO-(3-HYDROXY-3-TRIFLUOROMETHYL-PROPENYL)-OCTAETHYLPORPHYRIN
SpectraBase Compound ID 8GdSVuRHv1
InChI InChI=1S/C40H49F3N4O/c1-9-22-24(11-3)33-20-35-26(13-5)28(15-7)38(46-35)30(17-18-37(48)40(41,42)43)39-29(16-8)27(14-6)36(47-39)21-34-25(12-4)23(10-2)32(45-34)19-31(22)44-33/h17-21,37,44,47-48H,9-16H2,1-8H3/b18-17+,31-19-,32-19-,33-20-,34-21-,35-20-,36-21-,38-30-,39-30-
InChIKey TYOIHQLXHMARQP-LNMJKTORSA-N
Mol Weight 658.9 g/mol
Molecular Formula C40H49F3N4O
Exact Mass 658.385847 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 675Bgxr2niS
Name MESO-(3-HYDROXY-3-TRIFLUOROMETHYL-PROPENYL)-OCTAETHYLPORPHYRIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H49F3N4O
InChI InChI=1S/C40H49F3N4O/c1-9-22-24(11-3)33-20-35-26(13-5)28(15-7)38(46-35)30(17-18-37(48)40(41,42)43)39-29(16-8)27(14-6)36(47-39)21-34-25(12-4)23(10-2)32(45-34)19-31(22)44-33/h17-21,37,44,47-48H,9-16H2,1-8H3/b18-17+,31-19-,32-19-,33-20-,34-21-,35-20-,36-21-,38-30-,39-30-
InChIKey TYOIHQLXHMARQP-LNMJKTORSA-N
Literature Reference Author G.LI,A.GRAHAM,W.POTTER,Z.D.GROSSMAN,A.OSEROFF,T.J.DOUGHERTY, R.K.PANDEY
Literature Reference Citation J.ORG.CHEM.,66,1316(2001)
Literature Reference DOI 10.1021/jo001541+
Solvent CDCl3
Source File Reference UWLU26153