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5-(p-Ethynylphenyl)-10,20-diphenylporphyrin

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5-(p-Ethynylphenyl)-10,20-diphenylporphyrin
SpectraBase Compound ID Czwt41htpqy
InChI InChI=1S/C40H26N4/c1-2-26-13-15-29(16-14-26)40-36-23-21-34(43-36)38(27-9-5-3-6-10-27)32-19-17-30(41-32)25-31-18-20-33(42-31)39(28-11-7-4-8-12-28)35-22-24-37(40)44-35/h1,3-25,41,44H/b30-25-,31-25-,38-32-,38-34-,39-33-,39-35-,40-36-,40-37-
InChIKey JEEJNFUIYHKFEK-MEWLEOLYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C40H26N4
Exact Mass 562.215747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K422Nr1MSZn
Name 5-(p-Ethynylphenyl)-10,20-diphenylporphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.215746853 u
Formula C40H26N4
InChI InChI=1S/C40H26N4/c1-2-26-13-15-29(16-14-26)40-36-23-21-34(43-36)38(27-9-5-3-6-10-27)32-19-17-30(41-32)25-31-18-20-33(42-31)39(28-11-7-4-8-12-28)35-22-24-37(40)44-35/h1,3-25,41,44H/b30-25-,31-25-,38-32-,38-34-,39-33-,39-35-,40-36-,40-37-
InChIKey JEEJNFUIYHKFEK-MEWLEOLYSA-N
Molecular Weight 562.676 g/mol
SMILES C1=C2NC(C=C2)=C(C2=NC(C=C2)=C(C=2NC(=CC2)C(=C2N=C1C=C2)C1=CC=CC=C1)C1=CC=C(C=C1)C#C)C1=CC=CC=C1