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2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(p-tolyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID FhYmpZhwnu0
InChI InChI=1S/C26H29N3O2/c1-15-5-9-17(10-6-15)21(22-19(30)13-26(3,4)14-20(22)31)24-23(28-25(27)29-24)18-11-7-16(2)8-12-18/h5-12,21,30H,13-14H2,1-4H3,(H3,27,28,29)
InChIKey ULKVLPPEGVKNAA-UHFFFAOYSA-N
Mol Weight 415.54 g/mol
Molecular Formula C26H29N3O2
Exact Mass 415.225977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlvlSFcqsa0
Name 2-((2-Amino-5-(p-tolyl)-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 C26H29N3O2
InChI InChI=1S/C26H29N3O2/c1-15-5-9-17(10-6-15)21(22-19(30)13-26(3,4)14-20(22)31)24-23(28-25(27)29-24)18-11-7-16(2)8-12-18/h5-12,21,30H,13-14H2,1-4H3,(H3,27,28,29)
InChIKey ULKVLPPEGVKNAA-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 415.537 g/mol
SMILES Nc1nc(C(C2=C(CC(CC2=O)(C)C)O)c2ccc(cc2)C)c([nH]1)-c1ccc(cc1)C
SPLASH splash10-0100-0930000000-e77f8b4cea4bfd8ca157
Source of Spectrum ARK-2013-71-10a
Wiley ID 1853450