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1-Methyl-2,3,5-tris(4-hydroxyphenyl)-4-propyl-1H-pyrrole
SpectraBase Compound ID AQDGj5sbe70
InChI InChI=1S/C26H25NO3/c1-3-4-23-24(17-5-11-20(28)12-6-17)26(19-9-15-22(30)16-10-19)27(2)25(23)18-7-13-21(29)14-8-18/h5-16,28-30H,3-4H2,1-2H3
InChIKey WAYYZIHVLOAPMB-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C26H25NO3
Exact Mass 399.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1QPKjBJ8Ne
Name 1-Methyl-2,3,5-tris(4-hydroxyphenyl)-4-propyl-1H-pyrrole
Alternate Name(s) 4,4',4''-(1-methyl-4-propyl-1H-pyrrole-2,3,5-triyl)triphenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO3
InChI InChI=1S/C26H25NO3/c1-3-4-23-24(17-5-11-20(28)12-6-17)26(19-9-15-22(30)16-10-19)27(2)25(23)18-7-13-21(29)14-8-18/h5-16,28-30H,3-4H2,1-2H3
InChIKey WAYYZIHVLOAPMB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100283
Molecular Weight 399.490 g/mol
SMILES Oc1ccc(-c2[n](c(c(-c3ccc(cc3)O)c2CCC)-c2ccc(cc2)O)C)cc1
SPLASH splash10-006t-0009100000-0d812293d010f441ded7
Source of Spectrum CMC-6-2060-5f
Wiley ID 1771736