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2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(4-bromophenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
SpectraBase Compound ID BKm4tvTEre7
InChI InChI=1S/C25H26BrN3O3/c1-25(2)12-18(30)21(19(31)13-25)20(14-4-8-16(26)9-5-14)23-22(28-24(27)29-23)15-6-10-17(32-3)11-7-15/h4-11,20,30H,12-13H2,1-3H3,(H3,27,28,29)
InChIKey NXQCBDBMPPIQJE-UHFFFAOYSA-N
Mol Weight 496.41 g/mol
Molecular Formula C25H26BrN3O3
Exact Mass 495.115755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L60OBVtyE15
Name 2-((2-Amino-5-(4-methoxyphenyl)-1H-imidazol-4-yl)(4-bromophenyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26BrN3O3
InChI InChI=1S/C25H26BrN3O3/c1-25(2)12-18(30)21(19(31)13-25)20(14-4-8-16(26)9-5-14)23-22(28-24(27)29-23)15-6-10-17(32-3)11-7-15/h4-11,20,30H,12-13H2,1-3H3,(H3,27,28,29)
InChIKey NXQCBDBMPPIQJE-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.306
Molecular Weight 496.405 g/mol
SMILES OC1=C(C(c2nc([nH]c2-c2ccc(OC)cc2)N)c2ccc(Br)cc2)C(CC(C1)(C)C)=O
SPLASH splash10-000i-0907200000-77c80b5ec9900ba8d218
Source of Spectrum ARK-2013-73-10k
Wiley ID 1853460