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1,2,4-Tris(4-methoxyphenyl)-3-methyl-5-propyl-1H-pyrrole

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1,2,4-Tris(4-methoxyphenyl)-3-methyl-5-propyl-1H-pyrrole
SpectraBase Compound ID 2oCG2dQwnsj
InChI InChI=1S/C29H31NO3/c1-6-7-27-28(21-8-14-24(31-3)15-9-21)20(2)29(22-10-16-25(32-4)17-11-22)30(27)23-12-18-26(33-5)19-13-23/h8-19H,6-7H2,1-5H3
InChIKey AADFCOUDMBVAOO-UHFFFAOYSA-N
Mol Weight 441.57 g/mol
Molecular Formula C29H31NO3
Exact Mass 441.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ez3ZfEu3rSC
Name 1,2,4-Tris(4-methoxyphenyl)-3-methyl-5-propyl-1H-pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.230393859 u
Formula C29H31NO3
InChI InChI=1S/C29H31NO3/c1-6-7-27-28(21-8-14-24(31-3)15-9-21)20(2)29(22-10-16-25(32-4)17-11-22)30(27)23-12-18-26(33-5)19-13-23/h8-19H,6-7H2,1-5H3
InChIKey AADFCOUDMBVAOO-UHFFFAOYSA-N
Molecular Weight 441.571 g/mol
SMILES C=1C(C2=C(N(C3=CC=C(C=C3)OC)C(C3=CC=C(C=C3)OC)=C2C)CCC)=CC=C(C1)OC