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

SpectraBase Compound ID	Ks7Iu5fTT8v
InChI	InChI=1S/C44H52N4O8.Pd/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;/h21-24H,9-20H2,1-8H3;/q-2;+2/b33-22-,34-21-,35-24-,36-23-,37-21-,38-22-,39-23-,40-24-;
InChIKey	VNKUCKAIJQVZLW-XMMDPWSBSA-N Google Search
Mol Weight	871.3 g/mol
Molecular Formula	C44H52N4O8Pd
Exact Mass	870.281995 g/mol

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SpectraBase Spectrum ID	DsScE6cgJus
Name	Tetraethyl 2,7,12,17-tetramethyl-21H,23H-porphine-3,8,13,18-tetrapropionate palladium (ii)
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	870.281994642 u
Formula	C44H52N4O8Pd
InChI	InChI=1S/C44H52N4O8.Pd/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;/h21-24H,9-20H2,1-8H3;/q-2;+2/b33-22-,34-21-,35-24-,36-23-,37-21-,38-22-,39-23-,40-24-;
InChIKey	VNKUCKAIJQVZLW-XMMDPWSBSA-N
Molecular Weight	871.341 g/mol
SMILES	C=12N3C(=CC4=NC(=CC=5N([Pd]3)C(C=C3N=C(C1)C(=C3CCC(OCC)=O)C)=C(C5CCC(OCC)=O)C)C(=C4CCC(OCC)=O)C)C(=C2CCC(OCC)=O)C