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2,3,5-Tris(4-methoxyphenyl)-1-isobutyl-1H-pyrrole
SpectraBase Compound ID 5kQsPxa3KMW
InChI InChI=1S/C29H31NO3/c1-20(2)19-30-28(22-8-14-25(32-4)15-9-22)18-27(21-6-12-24(31-3)13-7-21)29(30)23-10-16-26(33-5)17-11-23/h6-18,20H,19H2,1-5H3
InChIKey OHPHSMWSXLKPKL-UHFFFAOYSA-N
Mol Weight 441.57 g/mol
Molecular Formula C29H31NO3
Exact Mass 441.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zyLgngPokn
Name 2,3,5-Tris(4-methoxyphenyl)-1-isobutyl-1H-pyrrole
Alternate Name(s) 1-Isobutyl-2,3,5-tris(4-methoxyphenyl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NO3
InChI InChI=1S/C29H31NO3/c1-20(2)19-30-28(22-8-14-25(32-4)15-9-22)18-27(21-6-12-24(31-3)13-7-21)29(30)23-10-16-26(33-5)17-11-23/h6-18,20H,19H2,1-5H3
InChIKey OHPHSMWSXLKPKL-UHFFFAOYSA-N
Molecular Weight 441.571 g/mol
SMILES c1([n](c(cc1-c1ccc(cc1)OC)-c1ccc(cc1)OC)CC(C)C)-c1ccc(cc1)OC
SPLASH splash10-0006-0000900000-eac46f5c0d6644eeae5b
Source of Spectrum CMC-6-2055/SM5-4d
Wiley ID 1771739