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2-(4-Chlorooctafluorobutyl)-5,10,15,20-tetrakis-(4-chlorophenyl)-porphyrin

View entire compound with spectra: 2 NMR

2-(4-Chlorooctafluorobutyl)-5,10,15,20-tetrakis-(4-chlorophenyl)-porphyrin
SpectraBase Compound ID G0HbBaGFvDQ
InChI InChI=1S/C48H25Cl5F8N4/c49-28-9-1-24(2-10-28)40-33-17-18-34(62-33)41(25-3-11-29(50)12-4-25)36-21-22-38(64-36)43(27-7-15-31(52)16-8-27)44-32(45(54,55)46(56,57)47(58,59)48(53,60)61)23-39(65-44)42(37-20-19-35(40)63-37)26-5-13-30(51)14-6-26/h1-23,63-64H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-
InChIKey SPHVECFYUWIMPT-FGSSQFOESA-N
Mol Weight 987.0 g/mol
Molecular Formula C48H25Cl5F8N4
Exact Mass 984.039411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2xvGADLJuG
Name 2-(4-Chlorooctafluorobutyl)-5,10,15,20-tetrakis-(4-chlorophenyl)-porphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 984.039410625 u
Formula C48H25Cl5F8N4
InChI InChI=1S/C48H25Cl5F8N4/c49-28-9-1-24(2-10-28)40-33-17-18-34(62-33)41(25-3-11-29(50)12-4-25)36-21-22-38(64-36)43(27-7-15-31(52)16-8-27)44-32(45(54,55)46(56,57)47(58,59)48(53,60)61)23-39(65-44)42(37-20-19-35(40)63-37)26-5-13-30(51)14-6-26/h1-23,63-64H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-
InChIKey SPHVECFYUWIMPT-FGSSQFOESA-N
Molecular Weight 987.008 g/mol
SMILES C(F)(F)(C(F)(F)C(F)(F)C(F)(F)Cl)C=1C=2C(=C3C=CC(=C(C=4C=CC(=C(C5=CC=C(C(=C(C1)N2)C1=CC=C(C=C1)Cl)N5)C1=CC=C(C=C1)Cl)N4)C1=CC=C(C=C1)Cl)N3)C1=CC=C(C=C1)Cl