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5,15-Bis(2,6-difluorophenyl)porphyrin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5,15-Bis(2,6-difluorophenyl)porphyrin
SpectraBase Compound ID HM2ubjV8N1A
InChI InChI=1S/C32H18F4N4/c33-21-3-1-4-22(34)29(21)31-25-11-7-17(37-25)15-19-9-13-27(39-19)32(30-23(35)5-2-6-24(30)36)28-14-10-20(40-28)16-18-8-12-26(31)38-18/h1-16,37,40H/b17-15-,18-16-,19-15-,20-16-,31-25+,31-26+,32-27+,32-28+
InChIKey PEOBUZUUUUNFGM-VORMYCGHSA-N
Mol Weight 534.5 g/mol
Molecular Formula C32H18F4N4
Exact Mass 534.146759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLP9brit5B1
Name 5,15-bis(2,6-Difluorophenyl)porphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.146759248 u
Formula C32H18F4N4
InChI InChI=1S/C32H18F4N4/c33-21-3-1-4-22(34)29(21)31-25-11-7-17(37-25)15-19-9-13-27(39-19)32(30-23(35)5-2-6-24(30)36)28-14-10-20(40-28)16-18-8-12-26(31)38-18/h1-16,37,40H/b17-15-,18-16-,19-15-,20-16-,31-25+,31-26+,32-27+,32-28+
InChIKey PEOBUZUUUUNFGM-VORMYCGHSA-N
Molecular Weight 534.518 g/mol
SMILES C1(=C2N=C(C=C3NC(C=C3)=C(C3=NC(=CC=4NC1=CC4)C=C3)C1=C(F)C=CC=C1F)C=C2)C=1C(F)=CC=CC1F