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10-Nitro-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-21H,23H-porphine

View entire compound with spectra: 1 NMR

10-Nitro-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-21H,23H-porphine
SpectraBase Compound ID BBn5rULebOo
InChI InChI=1S/C32H37N5O2/c1-9-20-17(6)25-14-29-22(11-3)19(8)30(36-29)32(37(38)39)31-23(12-4)18(7)26(35-31)15-28-21(10-2)16(5)24(33-28)13-27(20)34-25/h13-15,33,36H,9-12H2,1-8H3/b24-13-,25-14-,26-15-,27-13-,28-15-,29-14-,32-30+,32-31+
InChIKey KUOGCSMNLBJBSP-NQMPKEKVSA-N
Mol Weight 523.7 g/mol
Molecular Formula C32H37N5O2
Exact Mass 523.294725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcVwLAhmGYB
Name 10-Nitro-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-21H,23H-porphine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.294725449 u
Formula C32H37N5O2
InChI InChI=1S/C32H37N5O2/c1-9-20-17(6)25-14-29-22(11-3)19(8)30(36-29)32(37(38)39)31-23(12-4)18(7)26(35-31)15-28-21(10-2)16(5)24(33-28)13-27(20)34-25/h13-15,33,36H,9-12H2,1-8H3/b24-13-,25-14-,26-15-,27-13-,28-15-,29-14-,32-30+,32-31+
InChIKey KUOGCSMNLBJBSP-NQMPKEKVSA-N
Molecular Weight 523.681 g/mol
SMILES C1=2NC(=CC3=NC(=CC4=C(C(=C(C(=C5N=C(C2)C(=C5CC)C)N(=O)=O)N4)C)CC)C(=C3CC)C)C(=C1CC)C