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21H,23H-Porphine-2,7,18-tripropanoic acid, 8-(2-methoxy-2-oxoethyl)-3,13,17-trimethyl-12-[1-[(trimethylsilyl)oxy]ethyl]-, trimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

21H,23H-Porphine-2,7,18-tripropanoic acid, 8-(2-methoxy-2-oxoethyl)-3,13,17-trimethyl-12-[1-[(trimethylsilyl)oxy]ethyl]-, trimethyl ester
SpectraBase Compound ID Ha3iZjLiHaR
InChI InChI=1S/C43H54N4O9Si/c1-23-27(12-15-39(48)52-5)34-21-35-28(13-16-40(49)53-6)24(2)32(45-35)20-36-29(14-17-41(50)54-7)30(18-42(51)55-8)37(47-36)22-38-43(26(4)56-57(9,10)11)25(3)33(46-38)19-31(23)44-34/h19-22,26,45-46H,12-18H2,1-11H3/b31-19-,32-20-,33-19-,34-21-,35-21-,36-20-,37-22-,38-22-
InChIKey XNATXUVNQQNAEG-FQTRTUGLSA-N
Mol Weight 799.0 g/mol
Molecular Formula C43H54N4O9Si
Exact Mass 798.366006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3WZbrE12x7
Name 21H,23H-Porphine-2,7,18-tripropanoic acid, 8-(2-methoxy-2-oxoethyl)-3,13,17-trimethyl-12-[1-[(trimethylsilyl)oxy]ethyl]-, trimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 798.366005861 u
Formula C43H54N4O9Si
InChI InChI=1S/C43H54N4O9Si/c1-23-27(12-15-39(48)52-5)34-21-35-28(13-16-40(49)53-6)24(2)32(45-35)20-36-29(14-17-41(50)54-7)30(18-42(51)55-8)37(47-36)22-38-43(26(4)56-57(9,10)11)25(3)33(46-38)19-31(23)44-34/h19-22,26,45-46H,12-18H2,1-11H3/b31-19-,32-20-,33-19-,34-21-,35-21-,36-20-,37-22-,38-22-
InChIKey XNATXUVNQQNAEG-FQTRTUGLSA-N
Molecular Weight 799.009 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)C(O[Si](C)(C)C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(=C1CC(=O)OC)CCC(=O)OC