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2,7,12,17-Tetramethyl-3,5:8,10:13,15:18,20-tetrakis(2,2-dimethylpropano)porphyrin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,7,12,17-Tetramethyl-3,5:8,10:13,15:18,20-tetrakis(2,2-dimethylpropano)porphyrin
SpectraBase Compound ID IgWSbTpRcOl
InChI InChI=1S/C44H54N4/c1-21-25-13-41(5,6)18-30-34-23(3)27-15-43(9,10)20-32(39(27)47-34)36-24(4)28-16-44(11,12)19-31(40(28)48-36)35-22(2)26-14-42(7,8)17-29(38(26)46-35)33(21)45-37(25)30/h45,48H,13-20H2,1-12H3/b33-29-,34-30-,35-31-,36-32-
InChIKey UNWZDIXPJZPELX-QMLPHQCVSA-N
Mol Weight 638.9 g/mol
Molecular Formula C44H54N4
Exact Mass 638.434848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Gtr9pwUi6y
Name 2,7,12,17-Tetramethyl-3,5:8,10:13,15:18,20-tetrakis(2,2-dimethylpropano)porphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.434847755 u
Formula C44H54N4
InChI InChI=1S/C44H54N4/c1-21-25-13-41(5,6)18-30-34-23(3)27-15-43(9,10)20-32(39(27)47-34)36-24(4)28-16-44(11,12)19-31(40(28)48-36)35-22(2)26-14-42(7,8)17-29(38(26)46-35)33(21)45-37(25)30/h45,48H,13-20H2,1-12H3/b33-29-,34-30-,35-31-,36-32-
InChIKey UNWZDIXPJZPELX-QMLPHQCVSA-N
Molecular Weight 638.944 g/mol
SMILES C12=C3C=4NC=5C(=C6N=C7C(=C8NC9=C(C(=N2)C(=C1CC(C)(C)C3)C)CC(CC9=C8C)(C)C)CC(C)(C)CC7=C6C)CC(CC5C4C)(C)C