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2,3,7,8-Tetraethyl-5-phenyl-[18]porphyrin

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2,3,7,8-Tetraethyl-5-phenyl-[18]porphyrin
SpectraBase Compound ID 9w0zOCgNTXP
InChI InChI=1S/C34H34N4/c1-5-26-28(7-3)33-32(21-12-10-9-11-13-21)34-29(8-4)27(6-2)31(38-34)20-25-17-15-23(36-25)18-22-14-16-24(35-22)19-30(26)37-33/h9-20,35,38H,5-8H2,1-4H3/b22-18-,23-18-,24-19-,25-20-,30-19-,31-20-,33-32-,34-32-
InChIKey VKYUVDYLVYHHBT-OHXPQZSESA-N
Mol Weight 498.7 g/mol
Molecular Formula C34H34N4
Exact Mass 498.278347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FikT2mG9kuH
Name 2,3,7,8-Tetraethyl-5-phenyl-[18]porphyrin
Comments Computed using HOSE algorithm
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Exact Mass 498.278347111 u
Formula C34H34N4
InChI InChI=1S/C34H34N4/c1-5-26-28(7-3)33-32(21-12-10-9-11-13-21)34-29(8-4)27(6-2)31(38-34)20-25-17-15-23(36-25)18-22-14-16-24(35-22)19-30(26)37-33/h9-20,35,38H,5-8H2,1-4H3/b22-18-,23-18-,24-19-,25-20-,30-19-,31-20-,33-32-,34-32-
InChIKey VKYUVDYLVYHHBT-OHXPQZSESA-N
Molecular Weight 498.674 g/mol
SMILES C12=C(C=3NC(C=C4N=C(C=C5NC(=CC(=N2)C(=C1CC)CC)C=C5)C=C4)=C(C3CC)CC)C1=CC=CC=C1