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1-[1-(2-Trimethylsilyl)ethoxy]ethyl-2,3,4,5,6,7,8-heptaethylporphyrin
SpectraBase Compound ID BLGAjLutA30
InChI InChI=1S/C41H58N4OSi/c1-12-26-27(13-2)35-22-37-30(16-5)31(17-6)39(44-37)24-41-33(19-20-46-25(8)47(9,10)11)32(18-7)40(45-41)23-38-29(15-4)28(14-3)36(43-38)21-34(26)42-35/h21-25,43-44H,12-20H2,1-11H3/b34-21-,35-22-,36-21-,37-22-,38-23-,39-24-,40-23-,41-24-
InChIKey LXZGUZWAPIXZBR-OMACCRNISA-N
Mol Weight 651.0 g/mol
Molecular Formula C41H58N4OSi
Exact Mass 650.437989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsglPRtg51X
Name 1-[1-(2-Trimethylsilyl)ethoxy]ethyl-2,3,4,5,6,7,8-heptaethylporphyrin
Comments Computed using HOSE algorithm
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Exact Mass 650.437989038 u
Formula C41H58N4OSi
InChI InChI=1S/C41H58N4OSi/c1-12-26-27(13-2)35-22-37-30(16-5)31(17-6)39(44-37)24-41-33(19-20-46-25(8)47(9,10)11)32(18-7)40(45-41)23-38-29(15-4)28(14-3)36(43-38)21-34(26)42-35/h21-25,43-44H,12-20H2,1-11H3/b34-21-,35-22-,36-21-,37-22-,38-23-,39-24-,40-23-,41-24-
InChIKey LXZGUZWAPIXZBR-OMACCRNISA-N
Molecular Weight 651.027 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C(=C1CC)CCOC([Si](C)(C)C)C