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5-(4-Trimethylsilyloxyphenyl)-10,15,20-tri(4-pyridinyl)-21H,23H-porphine
SpectraBase Compound ID D0aFkpLQyrw
InChI InChI=1S/C44H35N7OSi/c1-53(2,3)52-32-6-4-28(5-7-32)41-33-8-10-35(48-33)42(29-16-22-45-23-17-29)37-12-14-39(50-37)44(31-20-26-47-27-21-31)40-15-13-38(51-40)43(30-18-24-46-25-19-30)36-11-9-34(41)49-36/h4-27,48,51H,1-3H3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey WWTNNUWODYMBCZ-LWQDQPMZSA-N
Mol Weight 705.9 g/mol
Molecular Formula C44H35N7OSi
Exact Mass 705.267235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mgxQBhYxMO
Name 5-(4-Trimethylsilyloxyphenyl)-10,15,20-tri(4-pyridinyl)-21H,23H-porphine
Comments Computed using HOSE algorithm
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Exact Mass 705.267235309 u
Formula C44H35N7OSi
InChI InChI=1S/C44H35N7OSi/c1-53(2,3)52-32-6-4-28(5-7-32)41-33-8-10-35(48-33)42(29-16-22-45-23-17-29)37-12-14-39(50-37)44(31-20-26-47-27-21-31)40-15-13-38(51-40)43(30-18-24-46-25-19-30)36-11-9-34(41)49-36/h4-27,48,51H,1-3H3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey WWTNNUWODYMBCZ-LWQDQPMZSA-N
Molecular Weight 705.897 g/mol
SMILES C=12NC(=C(C3=NC(=C(C4=CC=C(C(=C5N=C(C1C1=CC=NC=C1)C=C5)C1=CC=C(C=C1)O[Si](C)(C)C)N4)C1=CC=NC=C1)C=C3)C1=CC=NC=C1)C=C2