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2-((2-Amino-5-(4-bromophenyl)-1H-imidazol-4-yl)(p-tolyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID 9M9E0UCAqLZ
InChI InChI=1S/C25H26BrN3O2/c1-14-4-6-15(7-5-14)20(21-18(30)12-25(2,3)13-19(21)31)23-22(28-24(27)29-23)16-8-10-17(26)11-9-16/h4-11,20,30H,12-13H2,1-3H3,(H3,27,28,29)
InChIKey FNVSSASETNNQOD-UHFFFAOYSA-N
Mol Weight 480.41 g/mol
Molecular Formula C25H26BrN3O2
Exact Mass 479.12084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QeFvIXnGbK
Name 2-((2-Amino-5-(4-bromophenyl)-1H-imidazol-4-yl)(p-tolyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26BrN3O2
InChI InChI=1S/C25H26BrN3O2/c1-14-4-6-15(7-5-14)20(21-18(30)12-25(2,3)13-19(21)31)23-22(28-24(27)29-23)16-8-10-17(26)11-9-16/h4-11,20,30H,12-13H2,1-3H3,(H3,27,28,29)
InChIKey FNVSSASETNNQOD-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 480.406 g/mol
SMILES OC1=C(C(c2nc([nH]c2-c2ccc(Br)cc2)N)c2ccc(C)cc2)C(CC(C1)(C)C)=O
SPLASH splash10-05rc-0295100000-4d16e7dcbdb8d5434b14
Source of Spectrum ARK-2013-74-10n
Wiley ID 1853463