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21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-.beta.7,.beta.12-bis[(trimethylsilyl)oxy]-, tetramethyl ester
SpectraBase Compound ID HXL9BV0P9rJ
InChI InChI=1S/C46H62N4O10Si2/c1-25-29(15-17-41(51)55-5)35-22-36-30(16-18-42(52)56-6)26(2)32(48-36)20-37-46(40(24-44(54)58-8)60-62(12,13)14)28(4)34(50-37)21-38-45(27(3)33(49-38)19-31(25)47-35)39(23-43(53)57-7)59-61(9,10)11/h19-22,39-40,48-49H,15-18,23-24H2,1-14H3/b31-19-,32-20-,33-19-,34-21-,35-22-,36-22-,37-20-,38-21-
InChIKey HAOQJZVFXCVEDQ-HXJOAWKQSA-N
Mol Weight 887.2 g/mol
Molecular Formula C46H62N4O10Si2
Exact Mass 886.400447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CK7qZoVJg3G
Name 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-.beta.7,.beta.12-bis[(trimethylsilyl)oxy]-, tetramethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 886.400447272 u
Formula C46H62N4O10Si2
InChI InChI=1S/C46H62N4O10Si2/c1-25-29(15-17-41(51)55-5)35-22-36-30(16-18-42(52)56-6)26(2)32(48-36)20-37-46(40(24-44(54)58-8)60-62(12,13)14)28(4)34(50-37)21-38-45(27(3)33(49-38)19-31(25)47-35)39(23-43(53)57-7)59-61(9,10)11/h19-22,39-40,48-49H,15-18,23-24H2,1-14H3/b31-19-,32-20-,33-19-,34-21-,35-22-,36-22-,37-20-,38-21-
InChIKey HAOQJZVFXCVEDQ-HXJOAWKQSA-N
Molecular Weight 887.190 g/mol
SMILES C=12C(=C(C)C(=N2)C=C2C(=C(C)C(N2)=CC2=NC(=CC=3NC(C1)=C(C3CCC(=O)OC)C)C(=C2C)CCC(=O)OC)C(CC(=O)OC)O[Si](C)(C)C)C(CC(=O)OC)O[Si](C)(C)C