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2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(4-chlorophenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID 1CracX3XbWh
InChI InChI=1S/C25H26ClN3O2/c1-14-4-6-16(7-5-14)22-23(29-24(27)28-22)20(15-8-10-17(26)11-9-15)21-18(30)12-25(2,3)13-19(21)31/h4-11,20,30H,12-13H2,1-3H3,(H3,27,28,29)
InChIKey DMBIQLOKFQZCBC-UHFFFAOYSA-N
Mol Weight 435.96 g/mol
Molecular Formula C25H26ClN3O2
Exact Mass 435.171355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72QUQJFCtQi
Name 2-((2-Amino-5-(p-tolyl)-1H-imidazol-4-yl)(4-chlorophenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26ClN3O2
InChI InChI=1S/C25H26ClN3O2/c1-14-4-6-16(7-5-14)22-23(29-24(27)28-22)20(15-8-10-17(26)11-9-15)21-18(30)12-25(2,3)13-19(21)31/h4-11,20,30H,12-13H2,1-3H3,(H3,27,28,29)
InChIKey DMBIQLOKFQZCBC-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 435.955 g/mol
SMILES Nc1nc(C(C2=C(CC(CC2=O)(C)C)O)c2ccc(cc2)Cl)c([nH]1)-c1ccc(cc1)C
SPLASH splash10-03dr-0395600000-18f10dedcf663a4a16a5
Source of Spectrum ARK-2013-71-10c
Wiley ID 1853452