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Tetraethyl 2,7,12,17-tetramethyl-21H,23H-porphine-3,8,13,18-tetrapropionate

View entire compound with spectra: 1 NMR

Tetraethyl 2,7,12,17-tetramethyl-21H,23H-porphine-3,8,13,18-tetrapropionate
SpectraBase Compound ID HbBr0Ny56Fo
InChI InChI=1S/C44H54N4O8/c1-9-53-41(49)17-13-29-25(5)33-22-38-31(15-19-43(51)55-11-3)27(7)35(47-38)24-40-32(16-20-44(52)56-12-4)28(8)36(48-40)23-39-30(14-18-42(50)54-10-2)26(6)34(46-39)21-37(29)45-33/h21-24,45,48H,9-20H2,1-8H3/b33-22-,34-21-,35-24-,36-23-,37-21-,38-22-,39-23-,40-24-
InChIKey FSMVEHDRZOQIJY-ZGRQDTDOSA-N
Mol Weight 766.9 g/mol
Molecular Formula C44H54N4O8
Exact Mass 766.394165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DEpQT8d0JB
Name Tetraethyl 2,7,12,17-tetramethyl-21H,23H-porphine-3,8,13,18-tetrapropionate
Comments Computed using HOSE algorithm
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Exact Mass 766.394164707 u
Formula C44H54N4O8
InChI InChI=1S/C44H54N4O8/c1-9-53-41(49)17-13-29-25(5)33-22-38-31(15-19-43(51)55-11-3)27(7)35(47-38)24-40-32(16-20-44(52)56-12-4)28(8)36(48-40)23-39-30(14-18-42(50)54-10-2)26(6)34(46-39)21-37(29)45-33/h21-24,45,48H,9-20H2,1-8H3/b33-22-,34-21-,35-24-,36-23-,37-21-,38-22-,39-23-,40-24-
InChIKey FSMVEHDRZOQIJY-ZGRQDTDOSA-N
Molecular Weight 766.936 g/mol
SMILES C1=2NC(=CC3=NC(=CC4=C(C(=C(C=C5N=C(C2)C(=C5CCC(OCC)=O)C)N4)C)CCC(OCC)=O)C(=C3CCC(OCC)=O)C)C(=C1CCC(OCC)=O)C