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Azaspirographis porphyrin-7-carbaldehyde [2,7,12,18-tetrmethyl-8-(ethenyl)-3-formyl-13,17-bis(2-methoxycarbonylethyl)-22H,24H-porphine]
SpectraBase Compound ID PWY3BQknWc
InChI InChI=1S/C34H35N5O5/c1-8-21-20(5)33-38-28(21)14-26-18(3)23(10-12-32(42)44-7)30(36-26)15-29-22(9-11-31(41)43-6)17(2)25(35-29)13-27-19(4)24(16-40)34(37-27)39-33/h8,13-16,35H,1,9-12H2,2-7H3,(H,37,38,39)
InChIKey QKNYYFQIQMGYSP-UHFFFAOYSA-N
Mol Weight 593.7 g/mol
Molecular Formula C34H35N5O5
Exact Mass 593.263819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YMMtp3OEAe
Name Azaspirographis porphyrin-7-carbaldehyde [2,7,12,18-tetrmethyl-8-(ethenyl)-3-formyl-13,17-bis(2-methoxycarbonylethyl)-22H,24H-porphine]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.263819242 u
Formula C34H35N5O5
InChI InChI=1S/C34H35N5O5/c1-8-21-20(5)33-38-28(21)14-26-18(3)23(10-12-32(42)44-7)30(36-26)15-29-22(9-11-31(41)43-6)17(2)25(35-29)13-27-19(4)24(16-40)34(37-27)39-33/h8,13-16,35H,1,9-12H2,2-7H3,(H,37,38,39)
InChIKey QKNYYFQIQMGYSP-UHFFFAOYSA-N
Molecular Weight 593.684 g/mol
SMILES C1=2N=C3NC(=CC4=NC(=CC=5NC(C=C(N2)C(=C1C=O)C)=C(C5CCC(=O)OC)C)C(=C4C)CCC(=O)OC)C(=C3C)C=C