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2,5-Bis[(5-formyl-4-methyl-3-octyl-1H-pyrrole-2-yl)methyl]-3,4-dimethylpyrrole

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2,5-Bis[(5-formyl-4-methyl-3-octyl-1H-pyrrole-2-yl)methyl]-3,4-dimethylpyrrole
SpectraBase Compound ID BlgT5PihFn0
InChI InChI=1S/C36H55N3O2/c1-7-9-11-13-15-17-19-29-27(5)35(23-40)38-33(29)21-31-25(3)26(4)32(37-31)22-34-30(28(6)36(24-41)39-34)20-18-16-14-12-10-8-2/h23-24,37-39H,7-22H2,1-6H3
InChIKey KIYRFGAWYXWPOB-UHFFFAOYSA-N
Mol Weight 561.9 g/mol
Molecular Formula C36H55N3O2
Exact Mass 561.429428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J47nX2Ll4tN
Name 2,5-bis[(5-Formyl-4-methyl-3-octyl-1H-pyrrole-2-yl)methyl]-3,4-dimethylpyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.429428021 u
Formula C36H55N3O2
InChI InChI=1S/C36H55N3O2/c1-7-9-11-13-15-17-19-29-27(5)35(23-40)38-33(29)21-31-25(3)26(4)32(37-31)22-34-30(28(6)36(24-41)39-34)20-18-16-14-12-10-8-2/h23-24,37-39H,7-22H2,1-6H3
InChIKey KIYRFGAWYXWPOB-UHFFFAOYSA-N
Molecular Weight 561.855 g/mol
SMILES C=1(NC(CC=2NC(C=O)=C(C2CCCCCCCC)C)=C(C1C)C)CC=1NC(C=O)=C(C1CCCCCCCC)C