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1,2,4-Tris(4-methoxyphenyl)-3-ethyl-1H-pyrrole
SpectraBase Compound ID 4aTKtc7Jl2z
InChI InChI=1S/C27H27NO3/c1-5-25-26(19-6-12-22(29-2)13-7-19)18-28(21-10-16-24(31-4)17-11-21)27(25)20-8-14-23(30-3)15-9-20/h6-18H,5H2,1-4H3
InChIKey BDQGUEQCBYHIPD-UHFFFAOYSA-N
Mol Weight 413.52 g/mol
Molecular Formula C27H27NO3
Exact Mass 413.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62jS6PZzTIn
Name 1,2,4-Tris(4-methoxyphenyl)-3-ethyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO3
InChI InChI=1S/C27H27NO3/c1-5-25-26(19-6-12-22(29-2)13-7-19)18-28(21-10-16-24(31-4)17-11-21)27(25)20-8-14-23(30-3)15-9-20/h6-18H,5H2,1-4H3
InChIKey BDQGUEQCBYHIPD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000537
Molecular Weight 413.517 g/mol
SMILES c1(ccc(OC)cc1)-c1c(c(c[n]1-c1ccc(cc1)OC)-c1ccc(cc1)OC)CC
SPLASH splash10-000i-0900200000-356945f90ac01be873e3
Source of Spectrum CMC-6-794/SM5-5c
Synonyms 3-Ethyl-1,2,4-tris(4-methoxyphenyl)-1H-pyrrole
Wiley ID 1771763