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7,13,17-Triethyl-2,8,12,18-tetramethyl-3,5-(3,3-dimethylpropano)porphyrin

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7,13,17-Triethyl-2,8,12,18-tetramethyl-3,5-(3,3-dimethylpropano)porphyrin
SpectraBase Compound ID 8IRaTYELyjD
InChI InChI=1S/C35H42N4/c1-10-22-18(4)26-15-28-20(6)24(12-3)33(38-28)32-34-25(13-14-35(32,8)9)21(7)29(39-34)16-27-19(5)23(11-2)31(37-27)17-30(22)36-26/h15-17,37-38H,10-14H2,1-9H3/b26-15+,27-16+,28-15+,29-16+,30-17+,31-17+,33-32+
InChIKey VDFWRMWSVCBKLX-IEUAFZBYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C35H42N4
Exact Mass 518.340947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tfEJ8CNL1y
Name 7,13,17-Triethyl-2,8,12,18-tetramethyl-3,5-(3,3-dimethylpropano)porphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.340947368 u
Formula C35H42N4
InChI InChI=1S/C35H42N4/c1-10-22-18(4)26-15-28-20(6)24(12-3)33(38-28)32-34-25(13-14-35(32,8)9)21(7)29(39-34)16-27-19(5)23(11-2)31(37-27)17-30(22)36-26/h15-17,37-38H,10-14H2,1-9H3/b26-15+,27-16+,28-15+,29-16+,30-17+,31-17+,33-32+
InChIKey VDFWRMWSVCBKLX-IEUAFZBYSA-N
Molecular Weight 518.749 g/mol
SMILES C12=C3C4=NC(=CC=5NC(C=C6N=C(C=C(N2)C(=C1CC)C)C(=C6CC)C)=C(C5C)CC)C(=C4CCC3(C)C)C