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

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2,8,10,12,18-Pentamethyl-3,7,13,17-tetraethyl-21H,23H-porphine
SpectraBase Compound ID 8R9FtokeMu7
InChI InChI=1S/C33H40N4/c1-10-22-17(5)26-14-27-18(6)23(11-2)29(35-27)16-31-25(13-4)20(8)33(37-31)21(9)32-19(7)24(12-3)30(36-32)15-28(22)34-26/h14-16,34,37H,10-13H2,1-9H3/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-21-,33-21-
InChIKey ARWCFDSEGGKXRA-YNANQMKQSA-N
Mol Weight 492.7 g/mol
Molecular Formula C33H40N4
Exact Mass 492.325297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aqa3cYxaNMW
Name 2,8,10,12,18-Pentamethyl-3,7,13,17-tetraethyl-21H,23H-porphine
Comments Computed using HOSE algorithm
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Exact Mass 492.325297304 u
Formula C33H40N4
InChI InChI=1S/C33H40N4/c1-10-22-17(5)26-14-27-18(6)23(11-2)29(35-27)16-31-25(13-4)20(8)33(37-31)21(9)32-19(7)24(12-3)30(36-32)15-28(22)34-26/h14-16,34,37H,10-13H2,1-9H3/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-21-,33-21-
InChIKey ARWCFDSEGGKXRA-YNANQMKQSA-N
Molecular Weight 492.711 g/mol
SMILES C1=2NC(=CC3=NC(=CC4=C(C(=C(C(=C5N=C(C2)C(=C5C)CC)C)N4)C)CC)C(=C3C)CC)C(=C1CC)C