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2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(p-tolyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID FRb8PGtsHir
InChI InChI=1S/C26H29N3O3/c1-15-5-7-16(8-6-15)21(22-19(30)13-26(2,3)14-20(22)31)24-23(28-25(27)29-24)17-9-11-18(32-4)12-10-17/h5-12,21,30H,13-14H2,1-4H3,(H3,27,28,29)
InChIKey JMEIPTLYYIBRQJ-UHFFFAOYSA-N
Mol Weight 431.54 g/mol
Molecular Formula C26H29N3O3
Exact Mass 431.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ca3cbtGMysG
Name 2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(p-tolyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29N3O3
InChI InChI=1S/C26H29N3O3/c1-15-5-7-16(8-6-15)21(22-19(30)13-26(2,3)14-20(22)31)24-23(28-25(27)29-24)17-9-11-18(32-4)12-10-17/h5-12,21,30H,13-14H2,1-4H3,(H3,27,28,29)
InChIKey JMEIPTLYYIBRQJ-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 431.536 g/mol
SMILES OC=1CC(CC(C1C(c1nc([nH]c1-c1ccc(cc1)OC)N)c1ccc(cc1)C)=O)(C)C
SPLASH splash10-002u-0759000000-3333f6fa19056ba38d2b
Source of Spectrum ARK-2013-72-10h
Wiley ID 1853457