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2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-porphyrin

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2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-porphyrin
SpectraBase Compound ID FrP10ovWH5N
InChI InChI=1S/C40H54N4/c1-9-13-17-29-25(5)33-21-34-27(7)31(19-15-11-3)39(43-34)24-40-32(20-16-12-4)28(8)36(44-40)22-35-26(6)30(18-14-10-2)38(42-35)23-37(29)41-33/h21-24,41,44H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-22-,37-23-,38-23-,39-24-,40-24-
InChIKey KBNWAXJWLDRWQP-QAOILRMHSA-N
Mol Weight 590.9 g/mol
Molecular Formula C40H54N4
Exact Mass 590.434848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfCjCrGT9Om
Name 2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-porphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.434847755 u
Formula C40H54N4
InChI InChI=1S/C40H54N4/c1-9-13-17-29-25(5)33-21-34-27(7)31(19-15-11-3)39(43-34)24-40-32(20-16-12-4)28(8)36(44-40)22-35-26(6)30(18-14-10-2)38(42-35)23-37(29)41-33/h21-24,41,44H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-22-,37-23-,38-23-,39-24-,40-24-
InChIKey KBNWAXJWLDRWQP-QAOILRMHSA-N
Molecular Weight 590.900 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CCCC)C)C(=C4C)CCCC)C(=C3CCCC)C)C(=C1C)CCCC